SCHEMBL10060063

SCHEMBL10060063

Cc1cc(Nc2cc[nH]n2)nc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.37
RET P07949 6/20 0.36
SYK P43405 2/20 0.36
CCNE1 P24864 3/20 0.35
CDK2 P24941 3/20 0.35
RBP4 P02753 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
MAP4K4 O95819 2/20 0.33

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
SCHEMBL514008 0.90 RET (0.41) RETCCNE1CDK2KDM4EALDH1A1
SCHEMBL514007 0.90 RET (0.41) RETCCNE1CDK2KDM4EALDH1A1
SCHEMBL10060061 0.88 RET (0.36) RETCCNE1CDK2RBP4KDM4E
SCHEMBL15127461 0.86 RBP4 (0.36) RETCCNE1CDK2RBP4
SCHEMBL10060059 0.84 SYK (0.47) RETSYKCCNE1CDK2MAP4K4
SCHEMBL10093482 0.84 AURKA (0.38) IGF1RRETSYKCCNE1CDK2
SCHEMBL14678842 0.84 AURKA (0.38) IGF1RRETSYKCCNE1CDK2
SCHEMBL10093483 0.84 AURKA (0.38) IGF1RRETSYKCCNE1CDK2
SCHEMBL14678841 0.84 AURKA (0.38) IGF1RRETSYKCCNE1CDK2
SCHEMBL10093498 0.83 RET (0.37) IGF1RRETSYKCCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492397-B2 Aminopyridine derivatives having Aurora A selective inhibitory action VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-23 US disclosed
US-8492397-B2 Aminopyridine derivatives having Aurora A selective inhibitory action VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-23 US disclosed
US-20120029004-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-02-02 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-20120029004-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB IGF1R 1229/4885RET 1577/4885SYK 2904/4885

“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.