SCHEMBL876181

SCHEMBL876181

CN1CCN(c2cc(B(O)OC(C)(C)C(C)(C)O)ccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.44
HTR3A P46098 1/20 0.40
KDM4E B2RXH2 1/20 0.38
RAD52 P43351 1/20 0.38
UBE2N P61088 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
LRRK2 Q5S007 3/20 0.37
DYRK1A Q13627 3/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
WNT1 P04628 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12815299 0.90 HRH4 (0.40) HRH4LRRK2
SCHEMBL452425 0.87 PIK3CA (0.45) LRRK2
SCHEMBL1854446 0.87 ADRB1 (0.46) HRH4HRH3DYRK1A
SCHEMBL596087 0.81 HTR3A (0.41) HRH4HTR3AKDM4EL3MBTL1ALDH1A1
SCHEMBL721503 0.79 HRH4 (0.55) HRH4HTR3AKDM4ERAD52UBE2N
SCHEMBL29375965 0.79 HRH4 (0.55) HRH4HTR3AKDM4ERAD52UBE2N
SCHEMBL1601666 0.77 HTR3A (0.40) HRH4HTR3AALDH1A1CYP1A2HSD17B10
SCHEMBL1428193 0.77 GAA (0.42) HTR3AKDM4EALDH1A1
SCHEMBL1118010 0.74 UHRF1 (0.36) DYRK1A
SCHEMBL12816668 0.74

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12059422-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases MEI PHARMA, INC. (US) 2024-08-13 US disclosed
US-20220370440-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER LEAD DISCOVERY CENTER GMBH (DE) 2022-11-24 US disclosed
US-20220323449-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES MEI PHARMA, INC. 2022-10-13 US disclosed
US-11400097-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases MEI PHARMA, INC. (US) 2022-08-02 US disclosed
EP-3807274-B1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER LEAD DISCOVERY CENTER GMBH (DE) 2022-07-27 EP disclosed
EP-3807274-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER Lead Discovery Center GmbH (DE) 2021-04-21 EP disclosed
US-20200316080-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES MEI PHARMA, INC. 2020-10-08 US disclosed
US-10603324-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases MEI PHARMA, INC. (US) 2020-03-31 US disclosed
WO-2020039060-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER LEAD DISCOVERY CENTER GMBH (DE) 2020-02-27 WO disclosed
EP-3613738-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER Lead Discovery Center GmbH (DE) 2020-02-26 EP disclosed
EP-2361251-B1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-04-30 EP disclosed
EP-2691384-A1 (ALPHA- SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5 -TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THESE COMPOUNDS FOR USE IN TREATING PROLIFERATIVE DISEASES MEI Pharma, Inc. (US) 2014-02-05 EP disclosed
US-8569281-B2 Compounds and their administration for treating a neurodegenerative disease as well as a method for identifying a compound capable of inhibiting a kinase, such as LRRK MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-29 US disclosed
EP-2619201-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 Medical Research Council Technology (GB) 2013-07-31 EP disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
WO-2012135160-A1 (ALPHA- SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5 -TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THESE COMPOUNDS FOR USE IN TREATING PROLIFERATIVE DISEASES PATHWAY THERAPEUTICS INC. (US) 2012-10-04 WO disclosed
US-20120252802-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES PATHWAY THERAPEUTICS INC. (US) 2012-10-04 US disclosed
WO-2012038743-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-03-29 WO disclosed
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2011-08-04 US disclosed
WO-2010010188-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES. GALAPAGOS NV (BE) 2010-01-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200316080-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 HRH4 1938/4885HTR3A 1792/4885KDM4E 3448/4885
US-12059422-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases CCNI, CCNK, CCNA1 HRH4 1938/4885HTR3A 1792/4885KDM4E 3448/4885
US-20220323449-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 HRH4 1938/4885HTR3A 1792/4885KDM4E 3448/4885
US-20120295883-A1 COMPOUNDS ABCC5, PRNP, PC HRH4 1758/4885HTR3A 2231/4885KDM4E 1561/4885
US-20120252802-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 HRH4 1938/4885HTR3A 1792/4885KDM4E 3448/4885
US-10603324-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases CCNI, CCNK, CCNA1 HRH4 1938/4885HTR3A 1792/4885KDM4E 3448/4885
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TRAF6, IL6, TLR6 HRH4 269/4885HTR3A 1674/4885KDM4E 2354/4885
US-20220370440-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER ERBB2, ERBB4, ERBB3 HRH4 576/4885HTR3A 1822/4885KDM4E 1672/4885
US-11400097-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases CCNI, CCNK, CCNA1 HRH4 1938/4885HTR3A 1792/4885KDM4E 3448/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.