SCHEMBL342113

SCHEMBL342113

Cc1cc(Nc2ccn[nH]2)nc(N2C[C@@H](NC(=O)O[C@@H](C)C(F)(F)F)C[C@@H](C(=O)O)C2)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
CCNE1 P24864 5/20 0.34
CDK2 P24941 5/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RBP4 P02753 7/20 0.33
TTR P02766 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
ROCK2 O75116 1/20 0.33
PPARG P37231 1/20 0.33
JAK3 P52333 1/20 0.32
BTK Q06187 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
SCHEMBL342621 1.00 RET (0.35) RETAURKAAURKBINCENPCCNE1
SCHEMBL342620 1.00 RET (0.35) RETAURKAAURKBINCENPCCNE1
SCHEMBL342115 1.00 RET (0.35) RETAURKAAURKBINCENPCCNE1
SCHEMBL342114 1.00 RET (0.35) RETAURKAAURKBINCENPCCNE1
Trifluoroacetic Acid SCHEMBL342210 0.98 AURKA (0.37) RETAURKAAURKBINCENPCCNE1
Trifluoroacetic Acid SCHEMBL342208 0.98 AURKA (0.37) RETAURKAAURKBINCENPCCNE1
SCHEMBL343045 0.93 RET (0.36) RETAURKAAURKBINCENPCCNE1
SCHEMBL343046 0.93 RET (0.36) RETAURKAAURKBINCENPCCNE1
SCHEMBL342219 0.93 RET (0.36) RETAURKAAURKBINCENPCCNE1
SCHEMBL342221 0.93 RET (0.36) RETAURKAAURKBINCENPCCNE1

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 claimed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 US claimed
US-8367690-B2 Aminopyridine derivatives having aurora a selective inhibitory action VERTEX PHARMACEUTICALS INC. (US) 2013-02-05 US disclosed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 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-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB RET 1430/4885AURKA 1/4885AURKB 3/4885

“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.