SCHEMBL5260838

SCHEMBL5260838

NC(=O)C(=Cc1c[nH]c2nc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc12)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.44
DEGS1 O15121 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38
MAP4K4 O95819 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
CDC7 O00311 1/20 0.37
CDK8 P49336 1/20 0.37
DYRK1A Q13627 1/20 0.37
MELK Q14680 1/20 0.37
MAPK14 Q16539 1/20 0.37
STK17A Q9UEE5 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL5260835 1.00 GRM5 (0.44) GRM5DEGS1NPC1RAB9AMEN1
SCHEMBL5262013 0.95 KMT2A (0.45) GRM5NPC1RAB9AMEN1KMT2A
SCHEMBL5263355 0.95 KMT2A (0.45) GRM5NPC1RAB9AMEN1KMT2A
SCHEMBL5257304 0.92 GRM5 (0.46) GRM5DEGS1NPC1RAB9AMEN1
SCHEMBL5257301 0.92 GRM5 (0.46) GRM5DEGS1NPC1RAB9AMEN1
SCHEMBL5260559 0.91 MEN1 (0.40) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5260557 0.91 MEN1 (0.40) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5261405 0.87 PDE10A (0.37) NPC1RAB9AMEN1KMT2AADORA1
SCHEMBL5264205 0.87 PDE10A (0.37) GRM5NPC1RAB9AMEN1KMT2A
SCHEMBL5261407 0.87 PDE10A (0.37) NPC1RAB9AMEN1KMT2AADORA1

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 GRM5 1930/4885DEGS1 2750/4885NPC1 1403/4885

“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.