SCHEMBL3586914

SCHEMBL3586914

Cc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.71
MAPT P10636 4/20 0.65
ABCG2 Q9UNQ0 3/20 0.65
TP53 P04637 2/20 0.65
LMNA P02545 1/20 0.65
ROCK2 O75116 11/20 0.65
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
GBA1 P04062 1/20 0.61
NTSR1 P30989 1/20 0.61
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
ROCK1 Q13464 4/20 0.59
CLK2 P49760 1/20 0.58
BLK P51451 1/20 0.58
CSNK2A1 P68400 1/20 0.58
STK3 Q13188 1/20 0.58
DYRK1A Q13627 1/20 0.58
AURKB Q96GD4 1/20 0.58

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 0.92 TGFBR1 (0.69) TGFBR1ABCG2ROCK2MEN1KMT2A
SCHEMBL29395013 0.92 TGFBR1 (0.71) TGFBR1MAPTABCG2TP53LMNA
SCHEMBL13154697 0.92 TGFBR1 (0.71) TGFBR1MAPTABCG2TP53LMNA
SCHEMBL3581272 0.90 TGFBR1 (0.58) TGFBR1MAPTABCG2TP53LMNA
SCHEMBL3578585 0.89 TGFBR1 (0.65) TGFBR1MAPTABCG2TP53ROCK2
SCHEMBL3589215 0.89 TGFBR1 (0.65) TGFBR1MAPTABCG2TP53ROCK2
SCHEMBL3590103 0.89 ABCG2 (0.67) TGFBR1ABCG2ROCK2MEN1KMT2A
SCHEMBL3582435 0.89 KDM1A (0.67) TGFBR1MAPTTP53LMNAROCK2
SCHEMBL3576082 0.88 ROCK2 (0.71) TGFBR1MAPTABCG2TP53ROCK2
SCHEMBL3581577 0.86 TGFBR1 (0.54) TGFBR1MAPTABCG2TP53LMNA

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 TGFBR1 1599/4885MAPT 2039/4885ABCG2 3107/4885
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease CIT, PDE3A, PDE2A TGFBR1 1926/4885MAPT 2759/4885ABCG2 1193/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 TGFBR1 1599/4885MAPT 2039/4885ABCG2 3107/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA TGFBR1 644/4885MAPT 3620/4885ABCG2 4736/4885

“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.