SCHEMBL16610830

SCHEMBL16610830

COc1c(Cl)nc(N2CCCC2c2ccc(C)cc2)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP19A1 P11511 2/20 0.36
PDE2A O00408 1/20 0.36
ROCK2 O75116 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PROKR1 Q8TCW9 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EGFR P00533 1/20 0.34
SCN9A Q15858 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
SCHEMBL16610525 0.86 CYP19A1 (0.40) POLBCYP19A1PDE2AMAPTMEN1
SCHEMBL16610894 0.86 CYP19A1 (0.34) POLBALDH1A1CYP19A1PDE2AROCK2
SCHEMBL16610534 0.84 ALDH1A1 (0.39) POLBALDH1A1CYP19A1ROCK2MAPT
SCHEMBL16610681 0.84 ALDH1A1 (0.39) POLBALDH1A1CYP19A1ROCK2MAPT
SCHEMBL16610752 0.75 CYP19A1 (0.40) CYP19A1MAPTMAOAMAOB
SCHEMBL16610566 0.75 DRD2 (0.39) POLBALDH1A1PDE2AROCK2SCN9A
SCHEMBL16754705 0.75 PDE2A (0.42) POLBCYP19A1PDE2AMAPTMEN1
SCHEMBL16610496 0.73 PDE2A (0.40) CYP19A1PDE2AMAPTMAOAMAOB
SCHEMBL16610744 0.73 CYP19A1 (0.39) CYP19A1PDE2AMEN1KMT2ASCN9A
SCHEMBL16610582 0.73 DRD2 (0.37) ALDH1A1PDE2AROCK2SCN9A

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 POLB 4775/4885ALDH1A1 1015/4885CYP19A1 761/4885
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS ROS1, NOX4, NOX3 POLB 3568/4885ALDH1A1 1052/4885CYP19A1 2040/4885

“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.