SCHEMBL16610980

SCHEMBL16610980

COc1c(Nc2ncc(C#N)s2)nc(N2CCC[C@H]2c2ccc(C)cc2)nc1-c1cnn(CCO)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.33
JAK1 P23458 4/20 0.33
TYK2 P29597 4/20 0.33
KHK P50053 1/20 0.33
TTK P33981 2/20 0.33
MAP4K1 Q92918 1/20 0.32
ACVR1 Q04771 3/20 0.32
KDR P35968 7/20 0.32
JAK3 P52333 3/20 0.32
STAT3 P40763 2/20 0.32
IKBKE Q14164 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
RET P07949 1/20 0.30
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR4 P22455 1/20 0.30
FGFR3 P22607 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
SCHEMBL16610619 1.00 JAK2 (0.33) JAK2JAK1TYK2KHKTTK
SCHEMBL16610592 0.93 KDR (0.38) JAK2JAK1TYK2KDRJAK3
SCHEMBL16610641 0.93 KDR (0.38) JAK2JAK1TYK2KDRJAK3
SCHEMBL18557037 0.92 KDR (0.31) JAK2JAK1TYK2KDRJAK3
SCHEMBL16772690 0.91 KHK (0.34) JAK2JAK1TYK2KHKMAP4K1
SCHEMBL16610532 0.91 RET (0.35) TTKACVR1KDRRET
SCHEMBL16610756 0.91 RET (0.35) TTKACVR1KDRRET
SCHEMBL16772680 0.87 KDR (0.32) KHKMAP4K1KDRRET
SCHEMBL16611224 0.86 JAK2 (0.30) JAK2JAK1TYK2JAK3STAT3
SCHEMBL16754747 0.86 TTK (0.34) JAK2JAK1TYK2TTKMAP4K1

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 7 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-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-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 JAK2 567/4885JAK1 835/4885TYK2 991/4885
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS ROS1, NOX4, NOX3 JAK2 11/4885JAK1 23/4885TYK2 41/4885

“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.