SCHEMBL4526693

SCHEMBL4526693

NC(=O)[C@@H](Cc1ccccc1)Nc1ccc(-c2ccnc(N)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.52
AURKA O14965 1/20 0.52
PRKACA P17612 1/20 0.52
ADORA2A P29274 1/20 0.52
ROCK2 O75116 2/20 0.46
MAPK8 P45983 2/20 0.45
MAPK10 P53779 1/20 0.45
ELANE P08246 1/20 0.44
CDC7 O00311 9/20 0.43
GPR142 Q7Z601 1/20 0.43
IKBKB O14920 2/20 0.42
GSK3B P49841 2/20 0.42
CCNT1 O60563 1/20 0.42
JAK2 O60674 1/20 0.42
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
PRKCB P05771 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42

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
SCHEMBL27744419 1.00 HSP90AA1 (0.52) HSP90AA1AURKAPRKACAADORA2AROCK2
SCHEMBL27723710 0.89 SCN9A (0.46) HSP90AA1AURKAPRKACAADORA2AROCK2
SCHEMBL4522587 0.89 MAP4K4 (0.44) HSP90AA1AURKAPRKACAADORA2AROCK2
SCHEMBL4528426 0.89 SCN9A (0.46) HSP90AA1AURKAPRKACAADORA2AROCK2
SCHEMBL28773048 0.89 MAP4K4 (0.44) HSP90AA1AURKAPRKACAADORA2AROCK2
SCHEMBL27744384 0.87 ROCK2 (0.48) HSP90AA1AURKAPRKACAADORA2AROCK2
SCHEMBL4525158 0.87 ROCK2 (0.48) HSP90AA1AURKAPRKACAADORA2AROCK2
SCHEMBL4527265 0.86 ROCK2 (0.52) ADORA2AROCK2IKBKBCCNT1CCNA2
SCHEMBL4534589 0.85 HSP90AA1 (0.45) HSP90AA1AURKAPRKACAADORA2AROCK2
SCHEMBL27744382 0.85 HSP90AA1 (0.45) HSP90AA1AURKAPRKACAADORA2AROCK2

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 HSP90AA1 1087/4885AURKA 286/4885PRKACA 659/4885

“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.