SCHEMBL5259266

SCHEMBL5259266

NC(=O)/C(=C/c1c[nH]c2nc(NCc3ccc(S(N)(=O)=O)cc3)ccc12)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PTGS2 P35354 1/20 0.40
CA2 P00918 12/20 0.39
CA1 P00915 11/20 0.39
CA9 Q16790 9/20 0.39
CA12 O43570 7/20 0.38
VCP P55072 1/20 0.38
CA14 Q9ULX7 4/20 0.38
CA7 P43166 3/20 0.38
CA5A P35218 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 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
SCHEMBL5259267 1.00 NPC1 (0.47) NPC1RAB9APTGS2CA2CA1
SCHEMBL5257677 0.94 NPC1 (0.47) NPC1RAB9APTGS2CA2CA1
SCHEMBL5257683 0.94 NPC1 (0.47) NPC1RAB9APTGS2CA2CA1
SCHEMBL5258654 0.91 ADORA2A (0.41)
SCHEMBL5258651 0.91 ADORA2A (0.41)
SCHEMBL5260661 0.86 CA2 (0.43) CA2CA1CA9CA12CA14
SCHEMBL5260663 0.86 CA2 (0.43) CA2CA1CA9CA12CA14
SCHEMBL5261411 0.83 MAPT (0.39) KMT2A
SCHEMBL5261409 0.83 MAPT (0.39) KMT2A
SCHEMBL5262752 0.83 CLK1 (0.43) CA2CA1CA9CA12CA7

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 NPC1 1403/4885RAB9A 3044/4885PTGS2 3137/4885

“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.