SCHEMBL16610744

SCHEMBL16610744

Cc1ccc([C@@H]2CCCN2c2cnc(C)c(Cl)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.39
PDE2A O00408 2/20 0.38
SCN9A Q15858 1/20 0.37
PRCP P42785 3/20 0.36
JAK2 O60674 2/20 0.36
NTRK1 P04629 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL16611213 0.88 CYP19A1 (0.37) CYP19A1PDE2ASCN9AMEN1KMT2A
SCHEMBL16754706 0.88 CYP19A1 (0.37) CYP19A1PDE2ASCN9AMEN1KMT2A
SCHEMBL28003806 0.87 PDE2A (0.35) PDE2APRCPJAK2NTRK1MEN1
SCHEMBL17777222 0.85 CYP19A1 (0.39) CYP19A1JAK2NTRK1HDAC8HDAC6
SCHEMBL16613114 0.81 CYP19A1 (0.42) CYP19A1PDE2ASCN9AJAK2NTRK1
SCHEMBL16610725 0.81 CYP19A1 (0.42) CYP19A1PDE2ASCN9AJAK2NTRK1
SCHEMBL16754705 0.79 PDE2A (0.42) CYP19A1PDE2ASCN9AMEN1KMT2A
SCHEMBL16610525 0.77 CYP19A1 (0.40) CYP19A1PDE2ASCN9AMEN1KMT2A
SCHEMBL16610738 0.76 KDM4E (0.37) PDE2AHDAC8HDAC6
SCHEMBL16610630 0.76 GSK3A (0.36) CYP19A1JAK2NTRK1MEN1KMT2A

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 CYP19A1 761/4885PDE2A 1208/4885SCN9A 800/4885
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS ROS1, NOX4, NOX3 CYP19A1 2040/4885PDE2A 1397/4885SCN9A 2592/4885

“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.