SCHEMBL4516299

SCHEMBL4516299

COc1ccc(C[C@@H](Nc2ccc(-c3ccncc3)cc2)C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 1/20 0.50
CYP19A1 P11511 1/20 0.45
CSF1R P07333 1/20 0.44
ROCK2 O75116 3/20 0.44
USP30 Q70CQ3 1/20 0.44
LSS P48449 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
PIP4K2A P48426 1/20 0.43
FPR2 P25090 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
NPC1 O15118 1/20 0.43
CHEK1 O14757 1/20 0.43

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
SCHEMBL4529362 0.85 LHCGR (0.42) CYP19A1ROCK2MEN1KMT2AMAPK1
SCHEMBL4521922 0.84 GPR142 (0.47) GPR142CYP19A1CSF1RROCK2USP30
SCHEMBL27744394 0.84 ROCK2 (0.52) GPR142ROCK2LSSMEN1KMT2A
SCHEMBL4523467 0.84 GPR142 (0.47) GPR142CYP19A1CSF1RROCK2USP30
SCHEMBL4530051 0.84 ROCK2 (0.52) GPR142ROCK2LSSMEN1KMT2A
SCHEMBL27723699 0.84 GPR142 (0.47) GPR142CYP19A1CSF1RROCK2USP30
SCHEMBL4527537 0.84 ROCK2 (0.54) GPR142ROCK2MEN1KMT2AMAPK1
SCHEMBL4514306 0.82 KIF11 (0.48) ROCK2MAPK1MAPTFPR2PRKACA
SCHEMBL27723705 0.82 KIF11 (0.48) ROCK2MAPK1MAPTFPR2PRKACA
SCHEMBL4527265 0.82 ROCK2 (0.52) ROCK2MEN1KMT2ARAB9AMAPT

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 3166/4885CYP19A1 3019/4885CSF1R 1455/4885

“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.