SCHEMBL2932310

SCHEMBL2932310

O=C(Nc1nc2ccccc2s1)c1ccc2[nH]c(Nc3cc4ccccc4cn3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.52
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
SCD O00767 6/20 0.48
KDM4E B2RXH2 4/20 0.48
HTT P42858 2/20 0.48
DHODH Q02127 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
LMNA P02545 1/20 0.47
PLCG2 P16885 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46

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
SCHEMBL1201612 0.87 TOP1 (0.52) TOP1NPC1RAB9AMEN1KMT2A
SCHEMBL2932977 0.80 AKR1C3 (0.52) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL12846052 0.80 TOP1 (0.52) TOP1NPC1RAB9AMEN1KMT2A
SCHEMBL2932304 0.79 RAB9A (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2930137 0.79 TOP1 (0.51) TOP1NPC1RAB9AMEN1KMT2A
SCHEMBL4239702 0.78 NPC1 (0.65) TOP1NPC1RAB9AMEN1KMT2A
SCHEMBL2929260 0.77 SMN1; SMN2 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2932418 0.77 AKR1C3 (0.54) TOP1NPC1RAB9AMEN1KMT2A
SCHEMBL4239700 0.76 TOP1 (0.60) TOP1NPC1RAB9AMEN1KMT2A
SCHEMBL15277719 0.76 MAP4K4 (0.49) TOP1NPC1RAB9ASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 WO 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 (2 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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB TOP1 317/4885NPC1 653/4885RAB9A 3858/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB TOP1 317/4885NPC1 653/4885RAB9A 3858/4885

“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.