SCHEMBL4516294

SCHEMBL4516294

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

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 4/20 0.66
CIT O14578 2/20 0.64
AAK1 Q2M2I8 2/20 0.60
ROCK2 O75116 2/20 0.54
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
USP30 Q70CQ3 1/20 0.48
HDAC8 Q9BY41 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
SCHEMBL10267388 1.00 GPR142 (0.66) GPR142CITAAK1ROCK2MEN1
SCHEMBL4529357 0.85 AAK1 (0.62) GPR142CITAAK1ROCK2HDAC8
SCHEMBL4530047 0.84 ROCK2 (0.69) GPR142CITAAK1ROCK2MEN1
SCHEMBL4523463 0.84 GPR142 (0.64) GPR142CITAAK1ROCK2MEN1
SCHEMBL4521918 0.84 GPR142 (0.64) GPR142CITAAK1ROCK2MEN1
SCHEMBL2802593 0.84 ROCK2 (0.64) GPR142CITAAK1ROCK2MAPK1
SCHEMBL2802584 0.84 ROCK2 (0.64) GPR142CITAAK1ROCK2MAPK1
SCHEMBL10260826 0.84 ROCK2 (0.64) GPR142CITAAK1ROCK2MAPK1
Hydrochloric Acid SCHEMBL4525075 0.83 ROCK2 (0.62) GPR142CITAAK1ROCK2MAPK1
SCHEMBL7039856 0.82 HDAC8 (0.66) CITPOLBKMT2AHTTRAB9A

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 3166/4885CIT 7/4885AAK1 736/4885

“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.