SCHEMBL16610758

SCHEMBL16610758

Cc1ccc(C2CCCN2c2nc(Nc3ncc(C#N)s3)c(C)nc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.40
TRPC3 Q13507 1/20 0.33
TRPC6 Q9Y210 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL16610657 0.87 KDR (0.42) KDRTRPC3TRPC6
SCHEMBL16610531 0.87 KDR (0.42) KDRTRPC3TRPC6
Hydrochloric Acid SCHEMBL16610472 0.86 KDR (0.41) KDRTRPC3TRPC6
SCHEMBL16610682 0.85 KDR (0.40) KDRTRPC3TRPC6
SCHEMBL16610770 0.84 KDR (0.35) KDR
SCHEMBL16610594 0.84 KDR (0.39) KDRTRPC3TRPC6
SCHEMBL16610670 0.83 KDR (0.40) KDRTRPC3TRPC6
SCHEMBL16610807 0.82 KDR (0.38) KDR
SCHEMBL16772657 0.82 KDR (0.38) KDR
SCHEMBL16610512 0.82 KDR (0.38) 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 14 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-20150152095-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2015-06-04 US claimed
EP-2857398-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL Nippon Shinyaku Co., Ltd. (JP) 2015-04-08 EP claimed
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS NIPPON SHINYAKU CO., LTD. (JP) 2017-05-25 US disclosed
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS NIPPON SHINYAKU CO., LTD. (JP) 2017-05-25 US disclosed
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-9580413-B2 Substituted pyrrolidines as ROS tyrosine kinase inhibitors NIPPON SHINYAKU CO., LTD. (JP) 2017-02-28 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
US-20150152095-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2015-06-04 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.