SCHEMBL514034

SCHEMBL514034

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 7/20 0.35
RET P07949 9/20 0.35
TTR P02766 3/20 0.34
EPHX2 P34913 1/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
PPARG P37231 1/20 0.32

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
SCHEMBL512818 1.00 RBP4 (0.35) RBP4RETTTREPHX2CCNE1
SCHEMBL512702 0.90 RET (0.35) RBP4RETTTREPHX2CCNE1
SCHEMBL512703 0.90 RET (0.35) RBP4RETTTREPHX2CCNE1
SCHEMBL513784 0.90 RET (0.35) RBP4RETTTREPHX2CCNE1
SCHEMBL513785 0.90 RET (0.35) RBP4RETTTREPHX2CCNE1
SCHEMBL476973 0.90 RET (0.35) RBP4RETTTREPHX2CCNE1
SCHEMBL512279 0.90 RET (0.35) RBP4RETTTREPHX2CCNE1
SCHEMBL512316 0.84 RBP4 (0.40) RBP4RETTTREPHX2CCNE1
SCHEMBL512315 0.84 RBP4 (0.40) RBP4RETTTREPHX2CCNE1
SCHEMBL10079166 0.79 RET (0.36) RBP4RETTTRCCNE1CDK2

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 claimed
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 RBP4 4627/4885RET 1577/4885TTR 4855/4885

“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.