SCHEMBL3587569

SCHEMBL3587569

c1ccc(-c2ccc(-c3nc(Nc4ccc5[nH]ncc5c4)c4ccccc4n3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.69
ROCK2 O75116 13/20 0.68
ROCK1 Q13464 4/20 0.65
CLK2 P49760 1/20 0.61
BLK P51451 1/20 0.61
CSNK2A1 P68400 1/20 0.61
STK3 Q13188 1/20 0.61
DYRK1A Q13627 1/20 0.61
AURKB Q96GD4 1/20 0.61
CLK4 Q9HAZ1 1/20 0.61
STK17A Q9UEE5 1/20 0.61
PKN2 Q16513 1/20 0.60
ABCG2 Q9UNQ0 4/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
PDE5A O76074 2/20 0.56
KDM1A O60341 1/20 0.56

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
SCHEMBL13154697 0.98 TGFBR1 (0.71) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL29395013 0.98 TGFBR1 (0.71) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL3578585 0.92 TGFBR1 (0.65) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL3589215 0.92 TGFBR1 (0.65) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL3586914 0.92 TGFBR1 (0.71) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL3590103 0.89 ABCG2 (0.67) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL3585254 0.89 ABCG2 (0.67) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL3582435 0.89 KDM1A (0.67) TGFBR1ROCK2MEN1KMT2AKDM1A
SCHEMBL882717 0.89 ROCK2 (0.69) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL3576082 0.88 ROCK2 (0.71) TGFBR1ROCK2ROCK1CLK2BLK

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 10 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
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
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 TGFBR1 1599/4885ROCK2 3/4885ROCK1 2/4885
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease CIT, PDE3A, PDE2A TGFBR1 1926/4885ROCK2 8/4885ROCK1 6/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 TGFBR1 1599/4885ROCK2 3/4885ROCK1 2/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA TGFBR1 644/4885ROCK2 2/4885ROCK1 1/4885

“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.