SCHEMBL3579466

SCHEMBL3579466

CC(=O)c1ccc(N2CCN(c3nc(Nc4ccc5[nH]ncc5c4)c4ccccc4n3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.56
TGFBR1 P36897 1/20 0.51
HTR2A P28223 3/20 0.50
HTR2C P28335 3/20 0.50
ROCK1 Q13464 5/20 0.48
CLK2 P49760 3/20 0.48
DYRK1A Q13627 3/20 0.48
CLK4 Q9HAZ1 3/20 0.48
AURKB Q96GD4 2/20 0.48
BLK P51451 1/20 0.48
CSNK2A1 P68400 1/20 0.48
STK3 Q13188 1/20 0.48
STK17A Q9UEE5 1/20 0.48
AURKA O14965 2/20 0.47
DAPK3 O43293 2/20 0.47
JAK2 O60674 2/20 0.47
PRKD3 O94806 2/20 0.47
MAP4K4 O95819 2/20 0.47
PAK4 O96013 2/20 0.47
NTRK1 P04629 2/20 0.47

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
SCHEMBL3580823 0.82 ROCK2 (0.64) ROCK2TGFBR1HTR2AHTR2CROCK1
SCHEMBL22201290 0.82 PIK3CA (0.65) ROCK2TGFBR1HTR2AHTR2C
SCHEMBL3576082 0.82 ROCK2 (0.71) ROCK2TGFBR1ROCK1CLK2DYRK1A
SCHEMBL22201371 0.81 ROCK2 (0.68) ROCK2TGFBR1HTR2AROCK1
SCHEMBL3576178 0.80 ROCK2 (0.61) ROCK2TGFBR1HTR2AHTR2CROCK1
SCHEMBL5736445 0.80 MAPT (0.56) HTR2APAK4FLT3HRH4
SCHEMBL3582369 0.80 HTR2A (0.67) ROCK2TGFBR1HTR2AHTR2CROCK1
SCHEMBL20774821 0.78 ROCK2 (0.71) ROCK2TGFBR1HTR2AROCK1
SCHEMBL30611459 0.78 ROCK2 (0.71) ROCK2TGFBR1HTR2AROCK1
SCHEMBL13316077 0.78 ROCK2 (0.65) ROCK2TGFBR1ROCK1CLK2DYRK1A

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-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
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 3/4885TGFBR1 1599/4885HTR2A 2282/4885
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease CIT, PDE3A, PDE2A ROCK2 8/4885TGFBR1 1926/4885HTR2A 761/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 ROCK2 3/4885TGFBR1 1599/4885HTR2A 2282/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA ROCK2 2/4885TGFBR1 644/4885HTR2A 3224/4885

“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.