SCHEMBL3585832

SCHEMBL3585832

CCOc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.64
ROCK1 Q13464 4/20 0.63
CLK2 P49760 1/20 0.62
BLK P51451 1/20 0.62
CSNK2A1 P68400 1/20 0.62
STK3 Q13188 1/20 0.62
DYRK1A Q13627 1/20 0.62
AURKB Q96GD4 1/20 0.62
CLK4 Q9HAZ1 1/20 0.62
STK17A Q9UEE5 1/20 0.62
TGFBR1 P36897 1/20 0.61
PKN2 Q16513 1/20 0.54
ABCG2 Q9UNQ0 3/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ABCB1 P08183 1/20 0.53
ABCC1 P33527 1/20 0.53

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
SCHEMBL3590103 0.89 ABCG2 (0.67) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL3587569 0.87 TGFBR1 (0.69) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL29395013 0.87 TGFBR1 (0.71) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL13154697 0.87 TGFBR1 (0.71) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL3593329 0.86 RET (0.62) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL3586914 0.86 TGFBR1 (0.71) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL3578585 0.84 TGFBR1 (0.65) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL3589215 0.84 TGFBR1 (0.65) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL3582435 0.83 KDM1A (0.67) ROCK2TGFBR1MEN1KMT2A
SCHEMBL3576082 0.82 ROCK2 (0.71) ROCK2ROCK1CLK2BLKCSNK2A1

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-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 US claimed
US-20060142313-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2006-06-29 US claimed
EP-1370553-A2 RHO-KINASE INHIBITORS Bayer Corporation (US) 2003-12-17 EP claimed
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease BAYER CORPORATION 2003-07-03 US claimed
WO-2002076976-A2 RHO-KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-03 WO claimed
US-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 US disclosed
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION 2009-02-05 US disclosed
WO-2008049000-A2 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION (US) 2008-04-24 WO disclosed
US-20060142313-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2006-06-29 US disclosed
EP-1370553-A2 RHO-KINASE INHIBITORS Bayer Corporation (US) 2003-12-17 EP disclosed
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease BAYER CORPORATION 2003-07-03 US disclosed
WO-2002076976-A2 RHO-KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-03 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 (4 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-20060142313-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 ROCK2 3/4885ROCK1 2/4885CLK2 857/4885
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease CIT, PDE3A, PDE2A ROCK2 8/4885ROCK1 6/4885CLK2 315/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 ROCK2 3/4885ROCK1 2/4885CLK2 857/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885CLK2 847/4885

“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.