SCHEMBL16611122

SCHEMBL16611122

Cc1nc(C2CC2)c(Cl)nc1N1CCCC1c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.39
PROKR1 Q8TCW9 2/20 0.37
CCNC P24863 7/20 0.36
CDK8 P49336 7/20 0.36
PRLHR P49683 1/20 0.35

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
SCHEMBL16610696 0.85 PDE2A (0.37) PDE2APROKR1CCNCCDK8
SCHEMBL28004266 0.81 PDE2A (0.41) PDE2APROKR1CCNCCDK8
SCHEMBL16754705 0.80 PDE2A (0.42) PDE2A
SCHEMBL16610770 0.77 KDR (0.35) PDE2ACCNCCDK8
SCHEMBL16610738 0.77 KDM4E (0.37) PDE2APROKR1CCNCCDK8
SCHEMBL28003812 0.74 KDM4E (0.40) PDE2APROKR1CCNCCDK8
SCHEMBL16610496 0.70 PDE2A (0.40) PDE2A
SCHEMBL28004257 0.68 CYP11B2 (0.37) PDE2APROKR1CCNCCDK8
SCHEMBL16610525 0.67 CYP19A1 (0.40) PDE2A
SCHEMBL23551030 0.66 PDE2A (0.39) PDE2A

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 PDE2A 1208/4885PROKR1 708/4885CCNC 4579/4885
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS ROS1, NOX4, NOX3 PDE2A 1397/4885PROKR1 407/4885CCNC 3648/4885

“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.