SCHEMBL5259909

SCHEMBL5259909

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 3/20 0.38
PDE10A Q9Y233 2/20 0.37
ADORA2A P29274 1/20 0.37
FGFR4 P22455 3/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
MAPK13 O15264 1/20 0.34
PDPK1 O15530 1/20 0.34
DYRK3 O43781 1/20 0.34
ROCK2 O75116 1/20 0.34
RPS6KA5 O75582 1/20 0.34
PRKD3 O94806 1/20 0.34
PAK4 O96013 1/20 0.34
CHEK2 O96017 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 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
SCHEMBL5259915 1.00 AKR1C1 (0.38) AKR1C1PDE10AADORA2AFGFR4KMT2A
SCHEMBL5261405 0.93 PDE10A (0.37) PDE10AADORA2AFGFR4KMT2AMEN1
SCHEMBL5261407 0.93 PDE10A (0.37) PDE10AADORA2AFGFR4KMT2AMEN1
SCHEMBL5259464 0.89 KMT2A (0.47) AKR1C1PDE10AADORA2AKMT2AMEN1
SCHEMBL5259462 0.89 KMT2A (0.47) AKR1C1PDE10AADORA2AKMT2AMEN1
SCHEMBL5260969 0.88 ADORA2A (0.48) AKR1C1PDE10AADORA2AFGFR4AKR1C2
SCHEMBL5260968 0.88 ADORA2A (0.48) AKR1C1PDE10AADORA2AFGFR4AKR1C2
SCHEMBL5263630 0.86 KMT2A (0.44) AKR1C1PDE10AADORA2AKMT2AMEN1
SCHEMBL5260242 0.86 KMT2A (0.44) AKR1C1PDE10AADORA2AKMT2AMEN1
SCHEMBL5263038 0.86 ADORA2A (0.38) AKR1C1PDE10AADORA2AFGFR4KMT2A

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 7 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
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 915/4885PDE10A 4552/4885ADORA2A 1105/4885

“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.