SCHEMBL16610496

SCHEMBL16610496

Cc1ccc(C2CCCN2c2nc(Cl)c(Br)nc2Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.40
SCN9A Q15858 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EGFR P00533 1/20 0.37
CYP19A1 P11511 2/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL16754705 0.82 PDE2A (0.42) PDE2ASCN9AMEN1KMT2ACYP19A1
SCHEMBL16611213 0.80 CYP19A1 (0.37) PDE2ASCN9AMEN1KMT2ACYP19A1
SCHEMBL16754706 0.80 CYP19A1 (0.37) PDE2ASCN9AMEN1KMT2ACYP19A1
SCHEMBL16610696 0.78 PDE2A (0.37) PDE2AMEN1KMT2AEGFRMAPT
SCHEMBL16610525 0.77 CYP19A1 (0.40) PDE2ASCN9AMEN1KMT2ACYP19A1
SCHEMBL16610830 0.73 POLB (0.39) PDE2ASCN9AMEN1KMT2AEGFR
SCHEMBL16610744 0.72 CYP19A1 (0.39) PDE2ASCN9AMEN1KMT2ACYP19A1
SCHEMBL16610725 0.70 CYP19A1 (0.42) PDE2ASCN9AMEN1KMT2ACYP19A1
SCHEMBL16613114 0.70 CYP19A1 (0.42) PDE2ASCN9AMEN1KMT2ACYP19A1
SCHEMBL16611122 0.70 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 1208/4885SCN9A 800/4885MEN1 1167/4885
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS ROS1, NOX4, NOX3 PDE2A 1397/4885SCN9A 2592/4885MEN1 4343/4885

“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.