SCHEMBL5137400

SCHEMBL5137400

Cn1cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NSD2 O96028 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LPL P06858 12/20 0.43
LIPG Q9Y5X9 12/20 0.43
IRAK4 Q9NWZ3 1/20 0.41
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
SNCA P37840 1/20 0.36
FFAR1 O14842 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL907049 0.88 KDM4E (0.40) MAPTKDM4ENSD2ALDH1A1LPL
SCHEMBL5076707 0.81 LPL (0.41) LPLLIPGIRAK4IDO1TDO2
SCHEMBL21801802 0.81 IRAK4 (0.42) LPLLIPGIRAK4IDO1TDO2
SCHEMBL5074870 0.80 MEN1 (0.51) MAPTLPLLIPGIRAK4IDO1
SCHEMBL24873712 0.80 LPL (0.40) LPLLIPGIRAK4IDO1TDO2
SCHEMBL22041263 0.79 LPL (0.39) LPLLIPGIRAK4IDO1TDO2
SCHEMBL17678137 0.79 LPL (0.36) LPLLIPGIRAK4IDO1TDO2
SCHEMBL31387338 0.78 IRAK4 (0.39) KDM4ELPLLIPGIRAK4IDO1
SCHEMBL25322860 0.78 IRAK4 (0.38) LPLLIPGIRAK4IDO1TDO2
SCHEMBL30469648 0.77 LPL (0.35) LPLLIPGIRAK4IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4476204-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS Theras, Inc. (US) 2024-12-18 EP disclosed
EP-4469455-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 EP disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 US disclosed
EP-4347040-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF CANCER Petra Pharma Corporation (US) 2024-04-10 EP disclosed
CN-117769546-A Allosteric ketene inhibitors of phosphoinositide 3-kinase (PI 3K) for the treatment of disease 佩特拉制药公司 2024-03-26 CN disclosed
US-11873309-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2024-01-16 US disclosed
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
US-8669271-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-11 US disclosed
US-8669271-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-11 US disclosed
WO-2013148603-A1 CINNOLINE DERIVATIVES AS AS BTK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 WO disclosed
US-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012080476-A1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
EP-1945222-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES Bayer HealthCare AG (DE) 2008-07-23 EP disclosed
WO-2007056170-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2007-05-18 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 (5 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-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof GPR119, GPR3, MRGPRX2 MAPT 4776/4885KDM4E 3780/4885NSD2 4553/4885
US-11873309-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS MAPT 4685/4885KDM4E 3719/4885NSD2 1929/4885
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM2 MAPT 337/4885KDM4E 2149/4885NSD2 1378/4885
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS MAPT 2986/4885KDM4E 3625/4885NSD2 4464/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 MAPT 2749/4885KDM4E 3895/4885NSD2 2534/4885

“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.