SCHEMBL514818

SCHEMBL514818

CO[C@@H]1CN(c2nc(C)cc(Nc3cc[nH]n3)n2)C[C@H]1NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.40
CCNE1 P24864 5/20 0.38
CDK2 P24941 5/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
ROCK2 O75116 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
SCHEMBL514819 1.00 RET (0.40) RETCCNE1CDK2KDM4EALDH1A1
SCHEMBL10060062 0.90 RET (0.38) RETCCNE1CDK2HCRTR1HCRTR2
SCHEMBL514008 0.88 RET (0.41) RETCCNE1CDK2KDM4EALDH1A1
SCHEMBL514007 0.88 RET (0.41) RETCCNE1CDK2KDM4EALDH1A1
SCHEMBL15361833 0.88 RET (0.41) RETCCNE1CDK2KDM4EALDH1A1
SCHEMBL15361836 0.88 RET (0.41) RETCCNE1CDK2KDM4EALDH1A1
SCHEMBL10079166 0.86 RET (0.36) RETCCNE1CDK2
SCHEMBL3786025 0.81 RET (0.49) RETCCNE1CDK2KDM4EALDH1A1
SCHEMBL514034 0.79 RBP4 (0.35) RETCCNE1CDK2
SCHEMBL512818 0.79 RBP4 (0.35) 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 4 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
EP-2411010-B1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION MSD KK (JP) 2013-11-06 EP 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 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.