SCHEMBL18947232

SCHEMBL18947232

C[C@@H](N)C1CCCCC(C(=O)NC2CCCCCCCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.51
ROCK2 O75116 3/20 0.47
ROCK1 Q13464 3/20 0.47
PKN2 Q16513 3/20 0.47
CYP3A4 P08684 3/20 0.47
TSHR P16473 3/20 0.47
CYP2D6 P10635 2/20 0.47
RPS6KA5 O75582 2/20 0.47
LRRK2 Q5S007 2/20 0.47
HTT P42858 2/20 0.47
TP53 P04637 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
CHUK O15111 1/20 0.47
PRKD3 O94806 1/20 0.47
CDK1 P06493 1/20 0.47
CDK2 P24941 1/20 0.47
LTK P29376 1/20 0.47
CDK8 P49336 1/20 0.47
PRKX P51817 1/20 0.47
CDK5 Q00535 1/20 0.47

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
SCHEMBL18431034 1.00 EPHX2 (0.51) EPHX2ROCK2ROCK1PKN2CYP3A4
SCHEMBL18947254 1.00 EPHX2 (0.51) EPHX2ROCK2ROCK1PKN2CYP3A4
SCHEMBL18809737 0.98 EPHX2 (0.50) EPHX2ROCK2ROCK1PKN2CYP3A4
SCHEMBL18431022 0.98 EPHX2 (0.50) EPHX2ROCK2ROCK1PKN2CYP3A4
SCHEMBL19489059 0.98 EPHX2 (0.50) EPHX2ROCK2ROCK1PKN2CYP3A4
SCHEMBL18809970 0.98 EPHX2 (0.50) EPHX2ROCK2ROCK1PKN2CYP3A4
SCHEMBL19489363 0.98 EPHX2 (0.50) EPHX2ROCK2ROCK1PKN2CYP3A4
SCHEMBL19489191 0.98 EPHX2 (0.52) EPHX2ROCK2ROCK1PKN2CYP3A4
SCHEMBL18431033 0.98 EPHX2 (0.52) EPHX2ROCK2ROCK1PKN2CYP3A4
SCHEMBL21443032 0.98 EPHX2 (0.52) EPHX2ROCK2ROCK1PKN2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920048-B2 Substituted pyrimidines for inhibiting Raf kinase activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-03-20 US disclosed
US-20170158686-A1 Compounds Useful as Raf Kinase Inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-08 US 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 (1 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-20170158686-A1 Compounds Useful as Raf Kinase Inhibitors BRAF, RAF1, ARAF EPHX2 1977/4885ROCK2 173/4885ROCK1 182/4885

“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.