SCHEMBL3585254

SCHEMBL3585254

FC(F)(F)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.67
TGFBR1 P36897 1/20 0.62
KDM1A O60341 1/20 0.60
ROCK2 O75116 12/20 0.59
ROCK1 Q13464 4/20 0.56
PKN2 Q16513 1/20 0.54
CLK2 P49760 1/20 0.53
BLK P51451 1/20 0.53
CSNK2A1 P68400 1/20 0.53
STK3 Q13188 1/20 0.53
DYRK1A Q13627 1/20 0.53
AURKB Q96GD4 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
STK17A Q9UEE5 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
SCHEMBL3587569 0.89 TGFBR1 (0.69) ABCG2TGFBR1KDM1AROCK2ROCK1
SCHEMBL13154697 0.89 TGFBR1 (0.71) ABCG2TGFBR1ROCK2ROCK1PKN2
SCHEMBL29395013 0.89 TGFBR1 (0.71) ABCG2TGFBR1ROCK2ROCK1PKN2
SCHEMBL3578585 0.86 TGFBR1 (0.65) ABCG2TGFBR1ROCK2ROCK1PKN2
SCHEMBL3586914 0.86 TGFBR1 (0.71) ABCG2TGFBR1ROCK2ROCK1PKN2
SCHEMBL3589215 0.86 TGFBR1 (0.65) ABCG2TGFBR1KDM1AROCK2ROCK1
SCHEMBL1083782 0.84 ROCK2 (0.66) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL3582435 0.84 KDM1A (0.67) TGFBR1KDM1AROCK2
SCHEMBL3590103 0.84 ABCG2 (0.67) ABCG2TGFBR1KDM1AROCK2ROCK1
SCHEMBL3576082 0.83 ROCK2 (0.71) ABCG2TGFBR1ROCK2ROCK1PKN2

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 13 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
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 ABCG2 3107/4885TGFBR1 1599/4885KDM1A 1992/4885
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease CIT, PDE3A, PDE2A ABCG2 1193/4885TGFBR1 1926/4885KDM1A 1750/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 ABCG2 3107/4885TGFBR1 1599/4885KDM1A 1992/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA ABCG2 4736/4885TGFBR1 644/4885KDM1A 4025/4885

“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.