SCHEMBL10060052

SCHEMBL10060052

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.45
CCNE1 P24864 6/20 0.44
CDK2 P24941 6/20 0.44
KDM4E B2RXH2 2/20 0.38
ROCK2 O75116 2/20 0.38
TSHR P16473 3/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
RBP4 P02753 1/20 0.36
TTR P02766 1/20 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
SCHEMBL10078811 0.91 CCNE1 (0.43) RETCCNE1CDK2RBP4TTR
SCHEMBL3786025 0.89 RET (0.49) RETCCNE1CDK2KDM4EROCK2
SCHEMBL10060058 0.87 RET (0.56) RETCCNE1CDK2TSHRGAA
SCHEMBL10060059 0.87 SYK (0.47) RETCCNE1CDK2
SCHEMBL10078810 0.84 CCNE1 (0.44) RETCCNE1CDK2RBP4TTR
SCHEMBL10060061 0.84 RET (0.36) RETCCNE1CDK2KDM4EROCK2
SCHEMBL10060055 0.84 RET (0.36) RETCCNE1CDK2KDM4EROCK2
SCHEMBL10093476 0.82 SYK (0.48) RETKDM4ETSHRGAAHSD17B10
SCHEMBL10060062 0.82 RET (0.38) RETCCNE1CDK2ROCK2RBP4
SCHEMBL10093478 0.82 SYK (0.48) RETKDM4ETSHRGAAHSD17B10

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

“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.