SCHEMBL18537814

SCHEMBL18537814

CCc1c(Nc2ncc(C#N)s2)nc(N2CCCC2c2ccc(C)cc2)nc1C(=O)NS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.40
KDR P35968 13/20 0.36
HCRTR2 O43614 1/20 0.32
TRPC3 Q13507 1/20 0.32
TRPC6 Q9Y210 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
SCHEMBL16610597 1.00 SCN9A (0.40) SCN9AKDRHCRTR2TRPC3TRPC6
SCHEMBL16754703 0.94 KDR (0.36) SCN9AKDRTRPC3TRPC6
SCHEMBL16754712 0.94 KDR (0.36) SCN9AKDRTRPC3TRPC6
SCHEMBL16611019 0.90 KDR (0.38) KDRTRPC3TRPC6
SCHEMBL16610807 0.85 KDR (0.38) KDR
SCHEMBL16772657 0.85 KDR (0.38) KDR
Fumaric Acid SCHEMBL16754736 0.83 KDR (0.37) KDRTRPC3TRPC6
Maleic Acid SCHEMBL16754735 0.83 KDR (0.37) KDRTRPC3TRPC6
SCHEMBL16610621 0.82 KDR (0.40) KDRTRPC3TRPC6
SCHEMBL16772700 0.82 JAK2 (0.36) 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 claimed
US-9580413-B2 Substituted pyrrolidines as ROS tyrosine kinase inhibitors NIPPON SHINYAKU CO., LTD. (JP) 2017-02-28 US claimed
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

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-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS ROS1, NOX4, NOX3 SCN9A 2592/4885KDR 301/4885HCRTR2 2352/4885

“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.