SCHEMBL16610558

SCHEMBL16610558

COc1ccc(-c2nc(N3CCC[C@H]3c3ccc(C)cc3)nc(Nc3ncc(C#N)s3)c2OC)cn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.35
SCD5 Q86SK9 1/20 0.35
USP30 Q70CQ3 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
KDR P35968 9/20 0.34
KIT P10721 1/20 0.32
KDM1A O60341 2/20 0.32
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL16754742 0.93 SCD (0.35) SCDSCD5USP30PIK3CDPIK3CA
SCHEMBL16610580 0.92 KDR (0.33) KDR
SCHEMBL16754739 0.92 KDR (0.33) KDR
SCHEMBL16754704 0.92 KDR (0.33) KDR
SCHEMBL16754754 0.92 KDR (0.35) KDR
SCHEMBL16754746 0.92 KDR (0.35) KDR
SCHEMBL16610653 0.89 KDR (0.36) KDR
SCHEMBL16754745 0.89 KDR (0.33) PIK3CDPIK3CAPIK3CGKDRKIT
SCHEMBL16610602 0.88 KDR (0.35) USP30PIK3CDPIK3CAPIK3CGKDR
SCHEMBL16610756 0.88 RET (0.35) PIK3CDPIK3CAPIK3CGKDR

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 SCD 4689/4885SCD5 3368/4885USP30 3897/4885
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS ROS1, NOX4, NOX3 SCD 4743/4885SCD5 4310/4885USP30 3702/4885

“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.