SCHEMBL2559919

SCHEMBL2559919

COc1ccc(C(C)NC(=O)Nc2nc(-c3ccncc3)cs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 16/20 1.00
ROCK2 O75116 14/20 1.00
MAPT P10636 3/20 0.63
MEN1 O00255 2/20 0.63
ALDH1A1 P00352 2/20 0.63
KMT2A Q03164 2/20 0.63
MAPK1 P28482 2/20 0.61
NPC1 O15118 1/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL14739454 1.00 ROCK1 (1.00) ROCK1ROCK2MAPTMEN1ALDH1A1
SCHEMBL14739254 1.00 ROCK1 (1.00) ROCK1ROCK2MAPTMEN1ALDH1A1
SCHEMBL14739248 0.87 ROCK1 (1.00) ROCK1ROCK2MAPTALDH1A1MAPK1
SCHEMBL14739803 0.87 ROCK1 (1.00) ROCK1ROCK2MAPTALDH1A1MAPK1
SCHEMBL2557455 0.87 ROCK1 (1.00) ROCK1ROCK2MAPTALDH1A1MAPK1
SCHEMBL2556165 0.86 ROCK2 (1.00) ROCK1ROCK2
SCHEMBL2560272 0.86 ROCK2 (1.00) ROCK1ROCK2
SCHEMBL14738809 0.86 ROCK2 (1.00) ROCK1ROCK2
SCHEMBL10814398 0.82 MEN1 (0.83) ROCK1ROCK2MAPTMEN1ALDH1A1
SCHEMBL1881014 0.80 ADORA3 (0.82) ROCK1ROCK2MAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221808-B2 Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinase (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-12-29 US disclosed
US-20130059839-A1 PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2013-03-07 US disclosed
WO-2011130740-A2 PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2011-10-20 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-20130059839-A1 PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT ROCK1 1/4885ROCK2 2/4885MAPT 117/4885

“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.