SCHEMBL476908

SCHEMBL476908

Cc1cc(Nc2cc[nH]n2)nc(N2C[C@@H](C)[C@@H](N(C(=O)O)C(C)(C)C)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ROCK2 O75116 3/20 0.33
RBP4 P02753 2/20 0.33
ROCK1 Q13464 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33

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
SCHEMBL512395 1.00 RET (0.37) RETKDM4EALDH1A1LMNAHPGD
SCHEMBL476798 0.84 RET (0.42) RETKDM4EALDH1A1HPGDHSD17B10
SCHEMBL512702 0.84 RET (0.35) RETKDM4EALDH1A1LMNAHPGD
SCHEMBL512703 0.84 RET (0.35) RETKDM4EALDH1A1LMNAHPGD
SCHEMBL476973 0.84 RET (0.35) RETKDM4EALDH1A1LMNAHPGD
SCHEMBL514008 0.82 RET (0.41) RETKDM4EALDH1A1LMNAHPGD
SCHEMBL514007 0.82 RET (0.41) RETKDM4EALDH1A1LMNAHPGD
SCHEMBL10060063 0.79 IGF1R (0.37) RETKDM4EALDH1A1LMNAHPGD
SCHEMBL476869 0.77 ROCK2 (0.39) RETKDM4EALDH1A1LMNAHSD17B10
SCHEMBL476747 0.77 RET (0.40) RETRBP4CCNE1CDK2

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
US-20120029004-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-02-02 US claimed
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 1577/4885KDM4E 597/4885ALDH1A1 2363/4885

“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.