SCHEMBL2931814

SCHEMBL2931814

COCCNc1cc2[nH]c(Nc3ncccc3C)nc2cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
SORT1 Q99523 1/20 0.38
UTS2R Q9UKP6 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.37
NCF1 P14598 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 1/20 0.36
GRM4 Q14833 2/20 0.36
PDE10A Q9Y233 1/20 0.36
HTT P42858 2/20 0.35
PTGER4 P35408 1/20 0.35

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
SCHEMBL2930800 0.83 SORT1 (0.38) PKMCACNA1BAPBA1SORT1NPC1
SCHEMBL2933103 0.81 NPC1 (0.37) PKMCACNA1BAPBA1SORT1NPC1
SCHEMBL2927423 0.78 RAF1 (0.49) PKMKDM4ERAF1BRAF
SCHEMBL2929442 0.78 GAA (0.41) SORT1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2924961 0.77 LMNA (0.39) SORT1NPC1RAB9ALMNAGAA
SCHEMBL2929182 0.77 GAA (0.39) SORT1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2932201 0.76 CRHR1 (0.44) SORT1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2931752 0.76 LMNA (0.39) SORT1NPC1RAB9AALDH1A1LMNA
SCHEMBL2931133 0.74 CRHR1 (0.41) SORT1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2926135 0.74 HSP90AA1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2LMNA

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 PKM 628/4885CACNA1B 4540/4885APBA1 3790/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB PKM 628/4885CACNA1B 4540/4885APBA1 3790/4885

“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.