SCHEMBL4366496

SCHEMBL4366496

O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2[nH]c(-c3cscn3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.55
ROCK1 Q13464 3/20 0.55
PRKACA P17612 2/20 0.55
RPS6KB1 P23443 2/20 0.55
PRKX P51817 2/20 0.55
PRKG2 Q13237 2/20 0.55
CLK4 Q9HAZ1 2/20 0.55
SGK2 Q9HBY8 2/20 0.55
AURKA O14965 1/20 0.55
DYRK3 O43781 1/20 0.55
PRKD3 O94806 1/20 0.55
PRKCG P05129 1/20 0.55
MARK3 P27448 1/20 0.55
MAPK1 P28482 1/20 0.55
AKT1 P31749 1/20 0.55
CSNK1D P48730 1/20 0.55
CLK2 P49760 1/20 0.55
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
RPS6KA3 P51812 1/20 0.55

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
SCHEMBL4363687 0.89 METAP1 (0.47) ROCK2ROCK1PRKACARPS6KB1PRKX
SCHEMBL4366083 0.88 ROCK2 (0.51) ROCK2ROCK1METAP1METAP2RAB9A
SCHEMBL4368853 0.87 SMN1; SMN2 (0.50) ROCK2ROCK1PRKACARPS6KB1PRKX
SCHEMBL4368844 0.87 METAP1 (0.50) ROCK2ROCK1PRKACARPS6KB1PRKX
SCHEMBL4363701 0.87 ROCK2 (0.52) ROCK2ROCK1PRKACARPS6KB1PRKX
SCHEMBL4370722 0.86 METAP1 (0.50) ROCK2ROCK1PRKACARPS6KB1PRKX
SCHEMBL4364874 0.86 METAP1 (0.47) ROCK2ROCK1MAPK1METAP1METAP2
SCHEMBL4365473 0.86 ROCK2 (0.56) ROCK2ROCK1MAPK1AKT3METAP1
SCHEMBL4364774 0.85 ROCK2 (0.51) ROCK2ROCK1AURKAMAPK1AURKB
Trifluoroacetic Acid SCHEMBL4369775 0.84 METAP1 (0.42) ROCK2ROCK1PRKACARPS6KB1PRKX

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US claimed
EP-1581217-A4 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2007-07-11 EP claimed
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 US claimed
EP-1581217-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-10-05 EP claimed
WO-2004041277-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-05-21 WO claimed
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US disclosed
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US disclosed
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US disclosed
EP-1581217-A4 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2007-07-11 EP disclosed
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 US disclosed
EP-1581217-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-10-05 EP disclosed
WO-2004041277-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-05-21 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-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators AR, SHBG, BRCA1 ROCK2 1265/4885ROCK1 609/4885PRKACA 444/4885

“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.