SCHEMBL3590103

SCHEMBL3590103

COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.67
ABCC1 P33527 4/20 0.67
ABCB1 P08183 3/20 0.67
ROCK2 O75116 7/20 0.67
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
TGFBR1 P36897 1/20 0.64
KDM1A O60341 1/20 0.61
ROCK1 Q13464 2/20 0.61
CLK2 P49760 1/20 0.60
BLK P51451 1/20 0.60
CSNK2A1 P68400 1/20 0.60
STK3 Q13188 1/20 0.60
DYRK1A Q13627 1/20 0.60
AURKB Q96GD4 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60
STK17A Q9UEE5 1/20 0.60
PDE5A O76074 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
SCHEMBL11920174 0.90 ROCK2 (0.60) ABCG2ABCC1ABCB1ROCK2MEN1
SCHEMBL3590236 0.90 ROCK2 (0.78) ABCG2ABCB1ROCK2MEN1KMT2A
SCHEMBL11920218 0.90 ROCK2 (0.61) ABCG2ABCC1ABCB1ROCK2MEN1
SCHEMBL3587569 0.89 TGFBR1 (0.69) ABCG2ROCK2MEN1KMT2ATGFBR1
SCHEMBL29395013 0.89 TGFBR1 (0.71) ABCG2ROCK2MEN1KMT2ATGFBR1
SCHEMBL13154697 0.89 TGFBR1 (0.71) ABCG2ROCK2MEN1KMT2ATGFBR1
SCHEMBL3585832 0.89 ROCK2 (0.64) ABCG2ABCC1ABCB1ROCK2MEN1
SCHEMBL3586914 0.89 TGFBR1 (0.71) ABCG2ABCB1ROCK2MEN1KMT2A
SCHEMBL3585279 0.88 TNIK (0.54) ABCG2ABCC1ABCB1ROCK2MEN1
SCHEMBL3578657 0.87 TNIK (0.53) ABCG2ABCC1ABCB1ROCK2MEN1

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 ABCG2 3107/4885ABCC1 4126/4885ABCB1 1785/4885
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease CIT, PDE3A, PDE2A ABCG2 1193/4885ABCC1 2616/4885ABCB1 1129/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 ABCG2 3107/4885ABCC1 4126/4885ABCB1 1785/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA ABCG2 4736/4885ABCC1 2469/4885ABCB1 2439/4885

“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.