SCHEMBL5258649

SCHEMBL5258649

CNc1ccc2c(C=C(C(=O)O)c3ccccc3)c[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 4/20 0.40
AKR1C2 P52895 3/20 0.36
AKR1C3 P42330 2/20 0.36
PDE10A Q9Y233 2/20 0.36
FGFR4 P22455 5/20 0.36
ADORA2A P29274 1/20 0.36
PTGS2 P35354 1/20 0.36
KMT2A Q03164 2/20 0.35
HCAR3 P49019 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL5258647 1.00 AKR1C1 (0.40) AKR1C1AKR1C2AKR1C3PDE10AFGFR4
SCHEMBL5262258 0.91 NNMT (0.35) PDE10AFGFR4ADORA2AKMT2AHCAR3
SCHEMBL5262263 0.91 NNMT (0.35) PDE10AFGFR4ADORA2AKMT2AHCAR3
SCHEMBL5263036 0.89 ADORA2A (0.38) AKR1C1AKR1C2AKR1C3PDE10AFGFR4
SCHEMBL5263038 0.89 ADORA2A (0.38) AKR1C1AKR1C2AKR1C3PDE10AFGFR4
SCHEMBL5260968 0.88 ADORA2A (0.48) AKR1C1AKR1C2AKR1C3PDE10AFGFR4
SCHEMBL5260969 0.88 ADORA2A (0.48) AKR1C1AKR1C2AKR1C3PDE10AFGFR4
SCHEMBL5261682 0.87 ADORA2A (0.39) AKR1C1AKR1C2AKR1C3PDE10AFGFR4
SCHEMBL5261678 0.87 ADORA2A (0.39) AKR1C1AKR1C2AKR1C3PDE10AFGFR4
SCHEMBL5261350 0.87 BRD4 (0.38) AKR1C1AKR1C2AKR1C3PDE10AFGFR4

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
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
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

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 AKR1C1 915/4885AKR1C2 930/4885AKR1C3 621/4885

“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.