SCHEMBL16610641

SCHEMBL16610641

COCCn1cc(-c2nc(N3CCCC3c3ccc(C)cc3)nc(Nc3ncc(C#N)s3)c2OC)cn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.38
JAK2 O60674 8/20 0.36
JAK3 P52333 7/20 0.36
JAK1 P23458 5/20 0.35
IKBKE Q14164 3/20 0.34
TBK1 Q9UHD2 3/20 0.34
TYK2 P29597 2/20 0.34
FGFR1 P11362 1/20 0.32
FGFR3 P22607 1/20 0.32
KDM5A P29375 1/20 0.32
IGF1R P08069 1/20 0.32
STAT3 P40763 1/20 0.32
USP30 Q70CQ3 1/20 0.31
RET P07949 1/20 0.31

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
SCHEMBL16610592 1.00 KDR (0.38) KDRJAK2JAK3JAK1IKBKE
SCHEMBL16610980 0.93 JAK2 (0.33) KDRJAK2JAK3JAK1IKBKE
SCHEMBL16610619 0.93 JAK2 (0.33) KDRJAK2JAK3JAK1IKBKE
SCHEMBL18557037 0.92 KDR (0.31) KDRJAK2JAK3JAK1TYK2
SCHEMBL16610756 0.91 RET (0.35) KDRRET
SCHEMBL16610532 0.91 RET (0.35) KDRRET
SCHEMBL16611224 0.89 JAK2 (0.30) JAK2JAK3JAK1TYK2STAT3
SCHEMBL16754746 0.86 KDR (0.35) KDR
SCHEMBL16754754 0.86 KDR (0.35) KDR
SCHEMBL16610653 0.85 KDR (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 8 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-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 2945/4885JAK2 567/4885JAK3 399/4885
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS ROS1, NOX4, NOX3 KDR 301/4885JAK2 11/4885JAK3 24/4885

“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.