SCHEMBL10078811

SCHEMBL10078811

Cc1cc(Nc2cc[nH]n2)nc(N2CC[C@H](NC(=O)O[C@@H](C)C(F)(F)F)C2)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.43
CDK2 P24941 6/20 0.43
RET P07949 3/20 0.43
RBP4 P02753 6/20 0.38
TTR P02766 4/20 0.38
SYK P43405 2/20 0.38
CNR2 P34972 2/20 0.36

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
SCHEMBL10060052 0.91 RET (0.45) CCNE1CDK2RETRBP4TTR
SCHEMBL10079165 0.88 RET (0.53) CCNE1CDK2RET
SCHEMBL10093481 0.88 RET (0.35) CCNE1CDK2RETRBP4TTR
SCHEMBL14678857 0.88 RET (0.35) CCNE1CDK2RETRBP4TTR
SCHEMBL10093491 0.87 RET (0.35) CCNE1CDK2RETRBP4TTR
SCHEMBL14678859 0.87 RET (0.35) CCNE1CDK2RETRBP4TTR
SCHEMBL10078810 0.86 CCNE1 (0.44) CCNE1CDK2RETRBP4TTR
SCHEMBL10060059 0.85 SYK (0.47) CCNE1CDK2RETSYK
SCHEMBL10079526 0.85 CCNE1 (0.35) CCNE1CDK2RETRBP4TTR
SCHEMBL15127461 0.85 RBP4 (0.36) CCNE1CDK2RETRBP4TTR

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 2 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-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 CCNE1 80/4885CDK2 92/4885RET 1577/4885

“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.