SCHEMBL161865

SCHEMBL161865

COc1nc(Cl)cc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47
NR1I3 Q14994 2/20 0.45
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.40
VDR P11473 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
AHR P35869 1/20 0.40
NQO1 P15559 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 4/20 0.39
POLB P06746 2/20 0.39
MAT2A P31153 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
SQOR Q9Y6N5 1/20 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
SCHEMBL13409332 0.80 BTK (0.51) BTKALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL30223309 0.80 BTK (0.44) BTKALDH1A1CYP1A2CYP2C19NR1I3
SCHEMBL30803676 0.80 L3MBTL1 (0.36) BTKALDH1A1CYP1A2KDM4EL3MBTL1
SCHEMBL2228147 0.80 L3MBTL1 (0.36) BTKALDH1A1CYP1A2KDM4EL3MBTL1
SCHEMBL13443806 0.78 BTK (0.49) BTKALDH1A1CYP1A2CYP2C19NR1I3
SCHEMBL4266314 0.78 KDM4E (0.53) BTKALDH1A1CYP1A2CYP2C19NR1I3
SCHEMBL8139709 0.78 CYP1A2 (0.42) ALDH1A1CYP1A2NR1I3MAPK1KDM4E
SCHEMBL15483438 0.78 ALDH1A1 (0.42) ALDH1A1CYP1A2NR1I3KDM4EMAPT
SCHEMBL28466194 0.77 GRM4 (0.38) BTKCYP1A2CYP2C19KDM4ECYP3A4
SCHEMBL29935464 0.77 GRM4 (0.38) BTKCYP1A2CYP2C19KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122094947-A PARP1 inhibitor compounds 2026-05-26 CN disclosed
WO-2025073554-A2 PARP1 INHIBITOR COMPOUNDS Duke Street Bio Limited (GB) 2025-04-10 WO disclosed
EP-2663553-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORP (US) 2015-08-26 EP disclosed
EP-2663553-A2 QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-11-20 EP disclosed
US-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORPORATION (US) 2013-11-07 US disclosed
US-8178668-B2 2-aminopyridine kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-05-15 US disclosed
WO-2012030944-A2 QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
EP-2265270-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 US disclosed
US-7674810-B2 1,1-dioxo-1H-1Λ6-benzo[d]isothiazol-3-yl)-4-hydroxy-1,5-dihydro-pyrrol-2-one inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2010-03-09 US disclosed
WO-2009099982-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2009-08-06 US disclosed
CN-101189230-A Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (CH) 2008-05-28 CN disclosed
EP-1879885-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2008-01-23 EP disclosed
WO-2006117306-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-11-09 WO disclosed
US-20060252785-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-11-09 US disclosed
US-4299917-A IMPREGNATION OF AN ABSORBENT CARRIER WITH A SULPHONPHTHALEIN ESTER AND AN ACTIVATOR BOEHRINGER MANNEHEIM GMBH (DE) 1981-11-10 US disclosed
EP-0014929-A1 Diagnostic means, process for its preparation and its use in determining leucocytes in body fluids Roche Diagnostics GmbH (DE) 1980-09-03 EP 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 (3 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-20060252785-A1 Heterocyclic antiviral compounds EIF2AK2, HAVCR2, POLR2E BTK 3324/4885ALDH1A1 431/4885CYP1A2 274/4885
US-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS JAK3, JAK2, JAK1 BTK 10/4885ALDH1A1 4518/4885CYP1A2 1736/4885
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS ERBB2, ABL2, TIE1 BTK 316/4885ALDH1A1 945/4885CYP1A2 2804/4885

“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.