SCHEMBL2932397

SCHEMBL2932397

COC(=O)c1ccc2[nH]c(Nc3ccccn3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.59
RAB9A P51151 8/20 0.59
NPC1 O15118 7/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
ALDH1A1 P00352 4/20 0.59
HPGD P15428 3/20 0.59
ALOX15 P16050 2/20 0.59
HTT P42858 2/20 0.48
MAPT P10636 4/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 4/20 0.44
LMNA P02545 3/20 0.44
PKM P14618 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
POLB P06746 2/20 0.43
PIM1 P11309 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL2925610 0.87 NPC1 (0.63) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2929260 0.84 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL4245430 0.79 CBFB (0.55) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL32660751 0.79 CBFB (0.55) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL2671396 0.79 KDM4E (0.49) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2759988 0.77 KDM4E (0.48) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2930141 0.77 RAB9A (0.44) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL4235671 0.77 ALDH1A1 (0.63) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL15261276 0.76 MEN1 (0.52) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL19005163 0.76 TBK1 (0.42)

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 4 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
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 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 (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 SMN1; SMN2 4734/4885RAB9A 3858/4885NPC1 653/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB SMN1; SMN2 4734/4885RAB9A 3858/4885NPC1 653/4885

“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.