SCHEMBL4525925

SCHEMBL4525925

O=C(NCc1ccccc1)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 1.00
ROCK1 Q13464 3/20 1.00
HTT P42858 1/20 0.78
NAMPT P43490 13/20 0.69
RORC P51449 1/20 0.66
RPS6KA5 O75582 1/20 0.65
MAP4K4 O95819 1/20 0.65
PRKCG P05129 1/20 0.65
PRKACA P17612 1/20 0.65
RPS6KB1 P23443 1/20 0.65
MAPK1 P28482 1/20 0.65
AKT1 P31749 1/20 0.65
GSK3A P49840 1/20 0.65
GSK3B P49841 1/20 0.65
PRKX P51817 1/20 0.65
PRKCD Q05655 1/20 0.65
PRKG2 Q13237 1/20 0.65
DYRK1A Q13627 1/20 0.65
PRKG1 Q13976 1/20 0.65
PKN2 Q16513 1/20 0.65

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
SCHEMBL5639230 0.91 HTT (0.88) ROCK2ROCK1HTTNAMPT
SCHEMBL10133206 0.89 ROCK2 (0.80) ROCK2ROCK1HTTNAMPTRORC
SCHEMBL11616834 0.88 HTT (1.00) ROCK2ROCK1HTTNAMPT
SCHEMBL11618171 0.87 HTT (0.81) ROCK2ROCK1HTTNAMPT
SCHEMBL15140925 0.86 ROCK2 (1.00) ROCK2ROCK1HTTNAMPT
SCHEMBL29258253 0.86 MMP13 (0.78) ROCK2ROCK1HTTNAMPTRPS6KA5
SCHEMBL13960179 0.85 ROCK2 (0.74) ROCK2ROCK1HTTNAMPTRORC
SCHEMBL11621060 0.85 HTT (0.76) ROCK2ROCK1HTTNAMPT
SCHEMBL3127087 0.83 ROCK2 (0.73) ROCK2ROCK1HTTNAMPTRORC
SCHEMBL4511047 0.82 ROCK2 (0.74) ROCK2ROCK1HTTNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9808447-B2 Inhibitors of Rho associated protein kinases (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-11-07 US disclosed
US-20170049760-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-02-23 US disclosed
US-9409868-B2 Inhibitors of rho associated protein kinases (ROCK) and methods of use H. Lee Moffin Cancer Center and Research Institute, Inc. (US) 2016-08-09 US disclosed
US-20140336440-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2014-11-13 US disclosed
WO-2013112722-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2013-08-01 WO 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-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
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 (3 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-20140336440-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885HTT 4341/4885
US-20170049760-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885HTT 4341/4885
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885HTT 1894/4885

“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.