SCHEMBL343595

SCHEMBL343595

Cc1cc(Nc2ncc(C#N)s2)nc(Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.52
MAPK13 O15264 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
YES1 P07947 1/20 0.38
LYN P07948 1/20 0.38
HCK P08631 1/20 0.38
FGR P09769 1/20 0.38
KIT P10721 1/20 0.38
BCR P11274 1/20 0.38
SRC P12931 1/20 0.38
JAK3 P52333 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL7003815 0.86 KDR (0.55) KDRMAPK13ABL1EGFRERBB2
SCHEMBL2335605 0.86 KDR (0.55) KDR
SCHEMBL7228107 0.83 KDR (0.55) KDRLCK
SCHEMBL12656675 0.82 KDR (0.50) KDR
SCHEMBL4393715 0.81 KDR (0.49) KDRMAPK13ABL1EGFRERBB2
SCHEMBL1532331 0.81 KDR (0.47) KDR
SCHEMBL4594178 0.81 KDR (0.52) KDR
SCHEMBL12656671 0.80 KDR (0.48) KDR
SCHEMBL16610890 0.79 KDR (0.45) KDR
SCHEMBL5889022 0.78 KDR (0.71) KDR

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 7 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
US-8367690-B2 Aminopyridine derivatives having aurora a selective inhibitory action VERTEX PHARMACEUTICALS INC. (US) 2013-02-05 US disclosed
US-8367690-B2 Aminopyridine derivatives having aurora a selective inhibitory action VERTEX PHARMACEUTICALS INC. (US) 2013-02-05 US disclosed
CN-102497863-A Novel aminopyridine derivatives having Aurora a selective inhibitory action MSD KK 2012-06-13 CN disclosed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 US disclosed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 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 KDR 982/4885MAPK13 1356/4885ABL1 121/4885

“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.