SCHEMBL3589828

SCHEMBL3589828

Fc1cccc2nc(-c3cccc(Cl)c3)nc(Nc3ccc4[nH]ncc4c3)c12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.53
ROCK1 Q13464 3/20 0.49
TGFBR1 P36897 2/20 0.48
CLK2 P49760 1/20 0.46
BLK P51451 1/20 0.46
CSNK2A1 P68400 1/20 0.46
STK3 Q13188 1/20 0.46
DYRK1A Q13627 1/20 0.46
AURKB Q96GD4 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
STK17A Q9UEE5 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.45
PIK3CA P42336 1/20 0.45
PDE5A O76074 2/20 0.45
MAOB P27338 1/20 0.45
EGFR P00533 1/20 0.44
FLT1 P17948 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
PKN2 Q16513 1/20 0.43

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
SCHEMBL5737426 0.88 ROCK2 (0.55) ROCK2ROCK1TGFBR1CLK2BLK
SCHEMBL5737623 0.88 ROCK2 (0.53) ROCK2ROCK1TGFBR1CLK2BLK
SCHEMBL3588269 0.88 MKNK1 (0.54) ROCK2ROCK1TGFBR1CLK2BLK
Hydrochloric Acid SCHEMBL3580794 0.87 ROCK2 (0.52) ROCK2ROCK1TGFBR1CLK2BLK
Hydrochloric Acid SCHEMBL3585306 0.87 ROCK2 (0.54) ROCK2ROCK1TGFBR1CLK2BLK
SCHEMBL7091944 0.86 ROCK2 (0.62) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL3589238 0.85 ROCK2 (0.49) ROCK2ROCK1TGFBR1CLK2BLK
SCHEMBL3587864 0.84 ROCK2 (0.54) ROCK2ROCK1TGFBR1CLK4MAOB
SCHEMBL3581521 0.83 ROCK2 (0.58) ROCK2ROCK1TGFBR1CLK2BLK
SCHEMBL3123009 0.80 ROCK2 (0.57) ROCK2ROCK1TGFBR1CLK2BLK

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-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 EP 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-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 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

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 2/4885TGFBR1 1599/4885
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 6/4885TGFBR1 1926/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 ROCK2 3/4885ROCK1 2/4885TGFBR1 1599/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885TGFBR1 644/4885

“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.