SCHEMBL476869

SCHEMBL476869

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.39
ROCK1 Q13464 3/20 0.39
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HSD17B10 Q99714 1/20 0.35
RET P07949 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 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
SCHEMBL514008 0.83 RET (0.41) ROCK2ROCK1LMNAHSD17B10RET
SCHEMBL514007 0.83 RET (0.41) ROCK2ROCK1LMNAHSD17B10RET
SCHEMBL3808605 0.81 ROCK2 (0.39) ROCK2ROCK1LMNAMAPTMAPK1
SCHEMBL10060063 0.78 IGF1R (0.37) ROCK2ROCK1LMNAHSD17B10RET
SCHEMBL10093489 0.77 RET (0.40) ROCK2LMNAMAPK1TAAR1HSD17B10
SCHEMBL10093448 0.77 RET (0.40) ROCK2LMNAMAPK1TAAR1HSD17B10
SCHEMBL10093454 0.77 RET (0.40) ROCK2LMNAMAPK1TAAR1HSD17B10
SCHEMBL10093480 0.77 RET (0.40) ROCK2LMNAMAPK1TAAR1HSD17B10
SCHEMBL15361813 0.77 ROCK2 (0.38) ROCK2ROCK1LMNAMAPTMAPK1
SCHEMBL476908 0.77 RET (0.37) ROCK2ROCK1LMNAHSD17B10RET

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 9 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 disclosed
US-8492397-B2 Aminopyridine derivatives having Aurora A selective inhibitory action VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-23 US disclosed
US-8492397-B2 Aminopyridine derivatives having Aurora A selective inhibitory action VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-23 US 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
US-20120029004-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-02-02 US 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
WO-2010111050-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 WO 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 ROCK2 681/4885ROCK1 484/4885LMNA 1534/4885

“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.