SCHEMBL5260969

SCHEMBL5260969

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.48
ADORA1 P30542 3/20 0.44
AKR1C1 Q04828 4/20 0.39
AKR1C2 P52895 3/20 0.39
PDE10A Q9Y233 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
ADORA3 P0DMS8 2/20 0.37
PTGS2 P35354 2/20 0.36
AKR1C3 P42330 1/20 0.35
FGFR4 P22455 1/20 0.35
TGFBR1 P36897 1/20 0.35
TGFBR2 P37173 1/20 0.35
ADORA2B P29275 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
SCHEMBL5260968 1.00 ADORA2A (0.48) ADORA2AADORA1AKR1C1AKR1C2PDE10A
SCHEMBL5260147 0.91 ADORA2A (0.47) ADORA2AADORA1PDE10AKDM4ELMNA
SCHEMBL5260152 0.91 ADORA2A (0.47) ADORA2AADORA1PDE10AKDM4ELMNA
SCHEMBL5259462 0.89 KMT2A (0.47) ADORA2AADORA1AKR1C1PDE10AADORA3
SCHEMBL5259464 0.89 KMT2A (0.47) ADORA2AADORA1AKR1C1PDE10AADORA3
SCHEMBL5263036 0.89 ADORA2A (0.38) ADORA2AADORA1AKR1C1AKR1C2PDE10A
SCHEMBL5263038 0.89 ADORA2A (0.38) ADORA2AADORA1AKR1C1AKR1C2PDE10A
SCHEMBL5259915 0.88 AKR1C1 (0.38) ADORA2AADORA1AKR1C1AKR1C2PDE10A
SCHEMBL5259909 0.88 AKR1C1 (0.38) ADORA2AADORA1AKR1C1AKR1C2PDE10A
SCHEMBL5258647 0.88 AKR1C1 (0.40) ADORA2AAKR1C1AKR1C2PDE10APTGS2

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 11 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
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 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
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 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 ADORA2A 1105/4885ADORA1 1459/4885AKR1C1 915/4885

“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.