SCHEMBL4527265

SCHEMBL4527265

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.52
IKBKB O14920 2/20 0.42
CLK1 P49759 2/20 0.42
CLK2 P49760 2/20 0.42
DYRK1A Q13627 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
DYRK1B Q9Y463 2/20 0.42
CIT O14578 1/20 0.42
ROCK1 Q13464 1/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CDK5 Q00535 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
CDK5R1 Q15078 1/20 0.41
MAPT P10636 1/20 0.40
CCNT1 O60563 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
SCHEMBL27723710 0.86 SCN9A (0.46) ROCK2MEN1KMT2ACCNT1CCNA2
SCHEMBL4528426 0.86 SCN9A (0.46) ROCK2MEN1KMT2ACCNT1CCNA2
SCHEMBL4522587 0.86 MAP4K4 (0.44) ROCK2IKBKBPIK3CAPIK3CBPIK3CG
SCHEMBL28773048 0.86 MAP4K4 (0.44) ROCK2IKBKBPIK3CAPIK3CBPIK3CG
SCHEMBL4526693 0.86 HSP90AA1 (0.52) ROCK2IKBKBPIK3CGCCNT1CCNA2
SCHEMBL27744419 0.86 HSP90AA1 (0.52) ROCK2IKBKBPIK3CGCCNT1CCNA2
SCHEMBL4527259 0.82 CIT (0.62) ROCK2CITMEN1KMT2ANPC1
SCHEMBL4516299 0.82 GPR142 (0.50) ROCK2CLK1DYRK1ACLK4ROCK1
SCHEMBL4525158 0.79 ROCK2 (0.48) ROCK2ROCK1CCNT1CCNA2CDK2
SCHEMBL27744384 0.79 ROCK2 (0.48) ROCK2ROCK1CCNT1CCNA2CDK2

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 ROCK2 2/4885IKBKB 489/4885CLK1 2419/4885

“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.