SCHEMBL4527259

SCHEMBL4527259

COc1ccc(C[C@@H](N)C(=O)Nc2ccc(-c3ccnc(N)n3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CIT O14578 5/20 0.62
ROCK2 O75116 3/20 0.56
GPR142 Q7Z601 1/20 0.47
HDAC8 Q9BY41 1/20 0.44
KLK7 P49862 1/20 0.44
TPH1 P17752 2/20 0.44
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
PRNP P04156 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ADRB2 P07550 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL4528422 0.86 CIT (0.48) CITROCK2GPR142TPH1POLB
SCHEMBL4522585 0.86 ROCK2 (0.61) CITROCK2GPR142HDAC8POLB
SCHEMBL4526690 0.86 CIT (0.59) CITROCK2HDAC8POLBKDM4E
SCHEMBL4527265 0.82 ROCK2 (0.52) CITROCK2MEN1KMT2ANPC1
SCHEMBL4516294 0.82 GPR142 (0.66) CITROCK2GPR142HDAC8POLB
SCHEMBL10267388 0.82 GPR142 (0.66) CITROCK2GPR142HDAC8POLB
SCHEMBL4525156 0.79 ROCK2 (0.63) CITROCK2TPH1MEN1KMT2A
SCHEMBL10259587 0.76 IKBKB (0.48) CITROCK2KDM4EALDH1A1
SCHEMBL4534587 0.76 ROCK2 (0.45) CITROCK2POLBKDM4EMEN1
SCHEMBL7039856 0.76 HDAC8 (0.66) CITHDAC8KLK7POLBGAA

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 8 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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
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
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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 CIT 7/4885ROCK2 2/4885GPR142 3166/4885

“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.