SCHEMBL4523329

SCHEMBL4523329

CC(C)(C)OC(=O)N(c1ccc(-c2ccncc2)cc1)[C@H](Cc1ccc(C#N)cc1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 1/20 0.40
CYP17A1 P05093 1/20 0.38
MAPKAPK2 P49137 2/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
SLC22A12 Q96S37 2/20 0.36
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
XDH P47989 1/20 0.35
MMP2 P08253 1/20 0.34
POLB P06746 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
DPP4 P27487 1/20 0.34
CTSC P53634 1/20 0.34
KCNH2 Q12809 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
CTSL P07711 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
SCHEMBL4527461 0.87 GRM2 (0.41) GPR142CYP17A1CTSSCTSKMMP12
SCHEMBL4514379 0.87 GRM2 (0.41) GPR142CYP17A1CTSSCTSKMMP12
SCHEMBL4517315 0.87 ROCK2 (0.44) GPR142CYP17A1
SCHEMBL4526796 0.86 KIF11 (0.39) CYP17A1SLC22A12GSK3AGSK3BGPR119
SCHEMBL4533235 0.86 CYP17A1 (0.39) GPR142CYP17A1MMP12MMP13GPR119
SCHEMBL4519180 0.86 GPR142 (0.41) GPR142CYP17A1SLC22A12GSK3AGSK3B
SCHEMBL4516266 0.83 NPC1 (0.39) CYP17A1FNTAFNTBPOLB
SCHEMBL4523323 0.82 GPR142 (0.45) GPR142CYP17A1MAPKAPK2CTSSCTSK
SCHEMBL4524959 0.80 ROCK1 (0.51) CTSSCTSKGSK3BCTSL
SCHEMBL4525700 0.78 P2RX7 (0.39) CYP17A1GPR119

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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 WO 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA GPR142 3166/4885CYP17A1 3015/4885MAPKAPK2 160/4885

“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.