SCHEMBL16610660

SCHEMBL16610660

CCc1c(O)nc(N2CCC[C@H]2c2ccc(C)cc2)nc1O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
PSMD14 O00487 1/20 0.36
MMP2 P08253 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
PRKCZ Q05513 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRNA7 P36544 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
SCHEMBL16610540 0.88 MAOA (0.35) CYP19A1ALDH1A1LMNAPSMD14MMP2
SCHEMBL16610752 0.86 CYP19A1 (0.40) CYP19A1MAOAMAOBPRKCZCHRNA7
SCHEMBL16610681 0.82 ALDH1A1 (0.39) CYP19A1ALDH1A1LMNAPROKR1MAOA
SCHEMBL16610534 0.82 ALDH1A1 (0.39) CYP19A1ALDH1A1LMNAPROKR1MAOA
SCHEMBL28003809 0.76 CFB (0.32) ALDH1A1
SCHEMBL16610525 0.75 CYP19A1 (0.40) CYP19A1MEN1KMT2A
SCHEMBL16610804 0.74 DRD2 (0.42)
SCHEMBL16610557 0.72 DRD2 (0.40)
SCHEMBL16610830 0.71 POLB (0.39) CYP19A1ALDH1A1PROKR1MAOAMAOB
SCHEMBL16258843 0.67 SLC18A3 (0.44) CYP19A1ALDH1A1LMNAHTTNPSR1

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 761/4885ALDH1A1 1015/4885LMNA 4735/4885
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS ROS1, NOX4, NOX3 CYP19A1 2040/4885ALDH1A1 1052/4885LMNA 4859/4885

“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.