SCHEMBL2263016

SCHEMBL2263016

Cc1ccc2c(=O)[nH]ccc2c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.52
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
RAB9A P51151 1/20 0.43
BLM P54132 1/20 0.43
PARP15 Q460N3 1/20 0.43
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 3/20 0.38
DYRK1A Q13627 1/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL11104302 0.81 PARP1 (0.56) PARP1RECQLTDP1ALDH1A1KDM4E
SCHEMBL31426427 0.81 PARP1 (0.56) PARP1RECQLTDP1ALDH1A1KDM4E
SCHEMBL57441 0.77
SCHEMBL2262480 0.77 PARP1 (0.43) PARP1RECQLTDP1ALDH1A1KDM4E
SCHEMBL2263585 0.77 PARP1 (0.52) PARP1RECQLTDP1ALDH1A1KDM4E
SCHEMBL833342 0.76 ALDH1A1 (0.58) TDP1ALDH1A1KDM4ELMNAHPGD
SCHEMBL30662151 0.76 ALDH1A1 (0.58) TDP1ALDH1A1KDM4ELMNAHPGD
SCHEMBL12034737 0.74 PARP1 (0.41) PARP1RECQLTDP1ALDH1A1KDM4E
SCHEMBL832144 0.72 PARP1 (0.60) PARP1RECQLTDP1ALDH1A1KDM4E
SCHEMBL29488098 0.72 PARP1 (0.60) PARP1RECQLTDP1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005198-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2014-01-02 US disclosed
US-8557830-B2 RAF kinase modulators and methods of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557830-B2 RAF kinase modulators and methods of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557830-B2 RAF kinase modulators and methods of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8440674-B2 Substituted pyrimidine compounds as RAF inhibitors and methods of use AMGEN INC. (US) 2013-05-14 US disclosed
US-8440674-B2 Substituted pyrimidine compounds as RAF inhibitors and methods of use AMGEN INC. (US) 2013-05-14 US disclosed
EP-1976836-B9 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2013-02-06 EP disclosed
EP-1976836-B9 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2013-02-06 EP disclosed
EP-1976836-B1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2012-08-22 EP disclosed
EP-1976836-B1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2012-08-22 EP disclosed
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-23 US disclosed
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-23 US disclosed
EP-2170887-A2 HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS Amgen Inc. (US) 2010-04-07 EP disclosed
WO-2008153947-A2 HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS AMGEN INC. (US) 2008-12-18 WO disclosed
WO-2008153947-A2 HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS AMGEN INC. (US) 2008-12-18 WO disclosed
EP-1976836-A2 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES Amgen Inc. (US) 2008-10-08 EP disclosed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 WO disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007076092-A2 NITROGEN- CONTAINING BICYCLIC HETROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC. (US) 2007-07-05 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 (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-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 PARP1 816/4885RECQL 381/4885TDP1 2349/4885
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE BRAF, RAF1, ARAF PARP1 1297/4885RECQL 883/4885TDP1 2380/4885
US-20140005198-A1 RAF KINASE MODULATORS AND METHODS OF USE BRAF, RAF1, ARAF PARP1 1314/4885RECQL 839/4885TDP1 2559/4885

“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.