SCHEMBL4528422

SCHEMBL4528422

Nc1nccc(-c2ccc(NC(=O)[C@H](N)Cc3ccc(F)cc3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CIT O14578 5/20 0.48
ROCK2 O75116 4/20 0.47
GPR142 Q7Z601 1/20 0.45
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PRNP P04156 1/20 0.43
POLB P06746 1/20 0.43
SCN9A Q15858 2/20 0.42
TPH1 P17752 2/20 0.41
MAPK1 P28482 1/20 0.40
LARS1 Q9P2J5 1/20 0.40

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
SCHEMBL4522585 0.89 ROCK2 (0.61) CITROCK2GPR142JAK2JAK3
SCHEMBL4526690 0.89 CIT (0.59) CITROCK2JAK2JAK3MEN1
SCHEMBL4525156 0.88 ROCK2 (0.63) CITROCK2JAK2JAK3MEN1
SCHEMBL4527259 0.86 CIT (0.62) CITROCK2GPR142MEN1GAA
SCHEMBL4534587 0.83 ROCK2 (0.45) CITROCK2JAK2JAK3MEN1
SCHEMBL15577693 0.81 GAA (0.54) ROCK2GPR142MEN1GAAKMT2A
SCHEMBL4528426 0.80 SCN9A (0.46) ROCK2MEN1KMT2ASCN9A
SCHEMBL27723710 0.80 SCN9A (0.46) ROCK2MEN1KMT2ASCN9A
SCHEMBL4521918 0.80 GPR142 (0.64) CITROCK2GPR142MEN1GAA
SCHEMBL4523463 0.80 GPR142 (0.64) CITROCK2GPR142MEN1GAA

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 10 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
CN-101253152-A Amide derivatives as ROCK inhibitors ASTELLAS PHARMA INC (JP) 2008-08-27 CN 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
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.