SCHEMBL16610696

SCHEMBL16610696

Clc1ccc(C2CCCN2c2nc(Cl)c(C3CC3)nc2Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.37
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
HSD11B1 P28845 1/20 0.33
EGFR P00533 2/20 0.32
PROKR1 Q8TCW9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL16611122 0.85 PDE2A (0.39) PDE2ACCNCCDK8PROKR1
SCHEMBL16610496 0.78 PDE2A (0.40) PDE2AEGFRMEN1MAPTKMT2A
SCHEMBL16610738 0.77 KDM4E (0.37) PDE2ACCNCCDK8PROKR1KDM4E
SCHEMBL16754705 0.67 PDE2A (0.42) PDE2AMEN1MAPTKMT2A
SCHEMBL23551030 0.66 PDE2A (0.39) PDE2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL23064464 0.66 LMNA (0.49) HSD11B1KMT2A
SCHEMBL16611213 0.63 CYP19A1 (0.37) PDE2AMEN1KMT2A
SCHEMBL16610951 0.63 NR3C2 (0.40) PDE2ACCNCCDK8KDM4EMEN1
SCHEMBL16754706 0.63 CYP19A1 (0.37) PDE2AMEN1KMT2A
SCHEMBL17514217 0.63 CCNC (0.35) CCNCCDK8PROKR1

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 1208/4885CCNC 4579/4885CDK8 4567/4885
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS ROS1, NOX4, NOX3 PDE2A 1397/4885CCNC 3648/4885CDK8 2560/4885

“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.