SCHEMBL476798

SCHEMBL476798

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.42
CCNE1 P24864 4/20 0.39
CDK2 P24941 4/20 0.39
TTR P02766 6/20 0.38
RBP4 P02753 6/20 0.38
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
ROCK2 O75116 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
SCHEMBL476747 0.91 RET (0.40) RETCCNE1CDK2TTRRBP4
SCHEMBL512311 0.86 RET (0.55) RETKDM4EHSD17B10USP2HPGD
SCHEMBL476908 0.84 RET (0.37) RETCCNE1CDK2RBP4KDM4E
SCHEMBL512395 0.84 RET (0.37) RETCCNE1CDK2RBP4KDM4E
SCHEMBL512316 0.84 RBP4 (0.40) RETCCNE1CDK2TTRRBP4
SCHEMBL512315 0.84 RBP4 (0.40) RETCCNE1CDK2TTRRBP4
SCHEMBL3786025 0.81 RET (0.49) RETCCNE1CDK2KDM4EHSD17B10
SCHEMBL10093442 0.78 KDM4E (0.65) RETKDM4EHSD17B10USP2HPGD
SCHEMBL10093441 0.78 KDM4E (0.65) RETKDM4EHSD17B10USP2HPGD
SCHEMBL10060059 0.78 SYK (0.47) RETCCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411010-B1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION MSD KK (JP) 2013-11-06 EP claimed
US-20120029004-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-02-02 US claimed
EP-2411010-B1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION MSD KK (JP) 2013-11-06 EP disclosed
US-20120029004-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-02-02 US disclosed
EP-2411010-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION MSD K.K. (JP) 2012-02-01 EP 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.