SCHEMBL827004

SCHEMBL827004

CN(C)c1cccc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.50
HTR1A P08908 1/20 0.42
PIK3CD O00329 1/20 0.42
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RHEB Q15382 5/20 0.40
MAPK1 P28482 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR6 P50406 1/20 0.40
CHEK1 O14757 1/20 0.39
NEK2 P51955 1/20 0.39
LIMK1 P53667 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
BCHE P06276 1/20 0.39
MCL1 Q07820 1/20 0.39
CA2 P00918 2/20 0.38
HTR1B P28222 1/20 0.37
TRPA1 O75762 2/20 0.37

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
SCHEMBL27110796 0.75 AHR (0.46) AHRPIK3CDRHEBMAPK1ADRB1
SCHEMBL27350042 0.74 HTR1A (0.43) AHRHTR1APIK3CDKDM4ERHEB
SCHEMBL27110875 0.73 AHR (0.45) AHRPIK3CDRHEBMAPK1ADRB1
SCHEMBL30171037 0.72 ATM (0.54) AHRHTR1AKDM4EGAAMAPT
SCHEMBL4212837 0.72 ATM (0.54) AHRHTR1AKDM4EGAAMAPT
SCHEMBL7849824 0.72 DHPS (0.41) AHRHTR1AGAAMAPTMAPK1
SCHEMBL8720110 0.71 CHEK1 (0.65) KDM4EGAAMAPTHTR6CHEK1
SCHEMBL29810241 0.71 AHR (0.56) AHRPIK3CDRHEBMAPK1ADRB1
SCHEMBL65514 0.71 AHR (0.56) AHRPIK3CDRHEBMAPK1ADRB1
SCHEMBL7089562 0.71 PIK3CD (0.58) AHRPIK3CDMAPTCHEK1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018134-A1 6-Substituted Pyridazine Compounds as SMARCA2 and/or SMARCA4 Degraders AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2024-01-18 US disclosed
US-10975061-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-13 US disclosed
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2020-04-16 US disclosed
US-8507680-B2 Production process of a heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2013-08-13 US disclosed
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2012-06-07 US disclosed
US-8143407-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2012-03-27 US disclosed
EP-1481978-B1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO (JP) 2011-09-14 EP disclosed
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2010-01-14 US disclosed
US-7612218-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2009-11-03 US disclosed
EP-1161418-B1 1-ACYL-7-NITROINDOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PHOTOCLEAVABLE PRECURSORS MEDICAL RES COUNCIL (GB) 2005-12-28 EP disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 EP disclosed
US-6765014-B1 DRUG DELIVERY OF NEUROACTIVE AMINO ACIDS OR METAL CHELATORS MEDICAL RESEARCH COUNCIL (GB) 2004-07-20 US 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 (6 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-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, IPO5, HLCS AHR 67/4885HTR1A 4327/4885PIK3CD 537/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS AHR 185/4885HTR1A 4168/4885PIK3CD 289/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS AHR 67/4885HTR1A 4327/4885PIK3CD 537/4885
US-10975061-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 AHR 1044/4885HTR1A 3291/4885PIK3CD 1394/4885
US-20240018134-A1 6-Substituted Pyridazine Compounds as SMARCA2 and/or SMARCA4 Degraders SMARCC1, SMARCC2, SMARCA4 AHR 1814/4885HTR1A 764/4885PIK3CD 1516/4885
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 AHR 1044/4885HTR1A 3291/4885PIK3CD 1394/4885

“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.