SCHEMBL16610890

SCHEMBL16610890

COC(=O)c1cc(Nc2ncc(C#N)s2)nc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.45
SYK P43405 1/20 0.41
FFAR2 O15552 2/20 0.40

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
SCHEMBL343595 0.79 KDR (0.52) KDR
SCHEMBL2335605 0.79 KDR (0.55) KDR
SCHEMBL1532331 0.77 KDR (0.47) KDRFFAR2
SCHEMBL16610576 0.73 KDR (0.44) KDR
SCHEMBL4594178 0.72 KDR (0.52) KDR
SCHEMBL5742162 0.71 KDR (0.49) KDR
SCHEMBL5889022 0.71 KDR (0.71) KDR
SCHEMBL5742758 0.71 KDR (0.51) KDR
SCHEMBL4592951 0.70 KDR (0.50) KDR
SCHEMBL5889210 0.70 KDR (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS NIPPON SHINYAKU CO., LTD. (JP) 2017-05-25 US disclosed
US-9580413-B2 Substituted pyrrolidines as ROS tyrosine kinase inhibitors NIPPON SHINYAKU CO., LTD. (JP) 2017-02-28 US disclosed
US-20150152095-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2015-06-04 US disclosed
EP-2857398-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL Nippon Shinyaku Co., Ltd. (JP) 2015-04-08 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 (2 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-20150152095-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL HRH4, CYP3A4, CYP3A5 KDR 2945/4885SYK 1101/4885FFAR2 2070/4885
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS ROS1, NOX4, NOX3 KDR 301/4885SYK 42/4885FFAR2 1717/4885

“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.