SCHEMBL342172

SCHEMBL342172

Cc1cc(Nc2ccn[nH]2)nc(N2CC(C(=O)OC(=O)C(F)(F)F)CC(c3ccccc3)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
EGFR P00533 1/20 0.37
RBP4 P02753 7/20 0.36
RET P07949 3/20 0.36
PPARG P37231 1/20 0.36
ROCK2 O75116 2/20 0.36
TTR P02766 2/20 0.35
HCRTR1 O43613 4/20 0.34
HCRTR2 O43614 4/20 0.34
ROCK1 Q13464 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL342768 0.92 KMT2A (0.38) AURKAAURKBINCENPRBP4PPARG
Trifluoroacetic Acid SCHEMBL343047 0.91 AURKA (0.40) AURKAAURKBINCENPEGFRRBP4
Trifluoroacetic Acid SCHEMBL343048 0.91 AURKA (0.40) AURKAAURKBINCENPEGFRRBP4
Trifluoroacetic Acid SCHEMBL474405 0.90 AURKA (0.40) AURKAAURKBINCENPEGFRRBP4
Trifluoroacetic Acid SCHEMBL342171 0.90 AURKA (0.40) AURKAAURKBINCENPEGFRRBP4
Trifluoroacetic Acid SCHEMBL342173 0.90 AURKA (0.40) AURKAAURKBINCENPEGFRRBP4
SCHEMBL343433 0.89 RET (0.40) AURKAAURKBINCENPEGFRRBP4
SCHEMBL343435 0.89 RET (0.40) AURKAAURKBINCENPEGFRRBP4
SCHEMBL343434 0.89 RET (0.40) AURKAAURKBINCENPEGFRRBP4
SCHEMBL342793 0.88 RET (0.41) EGFRRBP4RETPPARGROCK2

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
US-8367690-B2 Aminopyridine derivatives having aurora a selective inhibitory action VERTEX PHARMACEUTICALS INC. (US) 2013-02-05 US disclosed
EP-2411011-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION MSD K.K. (JP) 2012-02-01 EP disclosed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 US disclosed
WO-2010111056-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-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885INCENP 158/4885

“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.