SCHEMBL16610520

SCHEMBL16610520

Cc1ccc([C@@H]2CCCN2c2cc(C(=O)O)c(C)c(Nc3ncc(C#N)s3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.40
TRPC3 Q13507 1/20 0.36
TRPC6 Q9Y210 1/20 0.36
SCN9A Q15858 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
SCHEMBL16610811 0.92 KDR (0.42) KDRSCN9A
SCHEMBL16610824 0.92 KDR (0.42) KDRSCN9A
SCHEMBL16610765 0.90 BCL2 (0.38) KDR
SCHEMBL16772656 0.88 NTRK1 (0.43)
SCHEMBL16610921 0.88 NTRK1 (0.43)
SCHEMBL16754755 0.88 NTRK1 (0.43)
SCHEMBL16610906 0.86 KDR (0.39) KDRTRPC3TRPC6
SCHEMBL16610672 0.86 KDR (0.39) KDRTRPC3TRPC6
SCHEMBL16610621 0.85 KDR (0.40) KDRTRPC3TRPC6
SCHEMBL16610531 0.83 KDR (0.42) KDRTRPC3TRPC6

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 2945/4885TRPC3 1496/4885TRPC6 1972/4885
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS ROS1, NOX4, NOX3 KDR 301/4885TRPC3 1380/4885TRPC6 2058/4885

“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.