SCHEMBL5260909

SCHEMBL5260909

NC(=O)C(=Cc1c[nH]c2nc(Nc3cccc(O)c3)ccc12)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.39
ABCG2 Q9UNQ0 3/20 0.38
MAPK1 P28482 3/20 0.38
MAPK8 P45983 3/20 0.38
CHEK1 O14757 2/20 0.38
PAK4 O96013 2/20 0.38
CDK2 P24941 2/20 0.38
PLK1 P53350 2/20 0.38
CSNK2A1 P68400 2/20 0.38
CSNK2A2 P19784 1/20 0.38
AKT1 P31749 1/20 0.38
CSNK2B P67870 1/20 0.38
MAP2K1 Q02750 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
RAD52 P43351 1/20 0.37
GFER P55789 1/20 0.37
SYK P43405 3/20 0.37
PIM1 P11309 2/20 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
SCHEMBL5260903 1.00 HDAC6 (0.39) HDAC6ABCG2MAPK1MAPK8CHEK1
SCHEMBL5258887 0.92 HDAC6 (0.40) HDAC6ABCG2MAPK1MAPK8CHEK1
SCHEMBL5258895 0.92 HDAC6 (0.40) HDAC6ABCG2MAPK1MAPK8CHEK1
SCHEMBL5263868 0.91 HCAR3 (0.36) MAPK1CDK2MEN1KMT2APOLB
SCHEMBL5263872 0.91 HCAR3 (0.36) MAPK1CDK2MEN1KMT2APOLB
SCHEMBL5257059 0.90 NPC1 (0.38) MAPK1MEN1KMT2APOLBIGF1R
SCHEMBL5257050 0.90 NPC1 (0.38) MAPK1MEN1KMT2APOLBIGF1R
SCHEMBL5260183 0.86 KMT2A (0.39) MAPK1MEN1KMT2APOLBGFER
SCHEMBL5260182 0.86 KMT2A (0.39) MAPK1MEN1KMT2APOLBGFER
SCHEMBL5262228 0.85 IRAK4 (0.41) MAPK1MAPK8CHEK1PAK4CDK2

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 HDAC6 457/4885ABCG2 3225/4885MAPK1 244/4885

“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.