SCHEMBL5261091

SCHEMBL5261091

CC(C)Nc1ccc2c(C=C(C(N)=O)c3ccccc3)c[nH]c2n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.37
HCAR3 P49019 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 1/20 0.33
FGFR4 P22455 2/20 0.32
LRRK2 Q5S007 2/20 0.32
MAP3K7 O43318 1/20 0.31
TAB1 Q15750 1/20 0.31
PDE10A Q9Y233 2/20 0.31
KMT2A Q03164 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL5261088 1.00 BRD4 (0.37) BRD4HCAR3CCNA2CDK2ADORA2A
SCHEMBL5261350 0.91 BRD4 (0.38) BRD4HCAR3CCNA2CDK2ADORA2A
SCHEMBL5261353 0.91 BRD4 (0.38) BRD4HCAR3CCNA2CDK2ADORA2A
SCHEMBL5262263 0.88 NNMT (0.35) HCAR3CDK2ADORA2AADORA1FGFR4
SCHEMBL5262258 0.88 NNMT (0.35) HCAR3CDK2ADORA2AADORA1FGFR4
SCHEMBL5260147 0.86 ADORA2A (0.47) ADORA2AADORA1FGFR4PDE10AKMT2A
SCHEMBL5260152 0.86 ADORA2A (0.47) ADORA2AADORA1FGFR4PDE10AKMT2A
SCHEMBL5264201 0.85 PDE10A (0.37) CCNA2CDK2ADORA2AADORA1FGFR4
SCHEMBL5261407 0.85 PDE10A (0.37) CDK2ADORA2AADORA1FGFR4MAP3K7
SCHEMBL5264205 0.85 PDE10A (0.37) CCNA2CDK2ADORA2AADORA1FGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309590-B1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-09-19 EP claimed
US-20030004350-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN (IT) 2003-01-02 US claimed
US-6335342-B1 1H-PYRROLO(2,3-B)PYRIDINE DERIVATIVES; ANTICARCINOGENIC, ANTIMETASTASIS, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-01-01 US claimed
EP-1309590-B1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-09-19 EP disclosed
EP-1309590-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-05-14 EP disclosed
US-20030004350-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN (IT) 2003-01-02 US disclosed
US-6486322-B1 Azaindole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2002-11-26 US disclosed
US-6335342-B1 1H-PYRROLO(2,3-B)PYRIDINE DERIVATIVES; ANTICARCINOGENIC, ANTIMETASTASIS, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-01-01 US disclosed
WO-2001098299-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 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 (1 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-20030004350-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS FFAR4, AZI2, CNKSR1 BRD4 136/4885HCAR3 72/4885CCNA2 315/4885

“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.