SCHEMBL3587684

SCHEMBL3587684

Cc1ccc2c(Nc3ccc4[nH]ncc4c3)nc(-c3ccc(F)cc3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.56
ROCK2 O75116 9/20 0.53
MKNK1 Q9BUB5 2/20 0.52
CDC7 O00311 1/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ROCK1 Q13464 3/20 0.47
AURKB Q96GD4 2/20 0.47
KDR P35968 1/20 0.47
CLK2 P49760 1/20 0.47
BLK P51451 1/20 0.47
CSNK2A1 P68400 1/20 0.47
STK3 Q13188 1/20 0.47
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
STK17A Q9UEE5 1/20 0.47
KDM1A O60341 1/20 0.46
MAPT P10636 2/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
ABCB1 P08183 1/20 0.46

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
SCHEMBL3581272 0.96 TGFBR1 (0.58) TGFBR1ROCK2MKNK1ROCK1AURKB
SCHEMBL3586795 0.92 TGFBR1 (0.54) TGFBR1ROCK2MKNK1ROCK1AURKB
SCHEMBL6694913 0.91 LATS1 (0.57) TGFBR1ROCK2ROCK1AURKBCLK2
SCHEMBL3585279 0.90 TNIK (0.54) TGFBR1ROCK2NPC1RAB9AROCK1
SCHEMBL3581577 0.88 TGFBR1 (0.54) TGFBR1ROCK2MKNK1ROCK1AURKB
SCHEMBL3586914 0.86 TGFBR1 (0.71) TGFBR1ROCK2ROCK1AURKBCLK2
SCHEMBL6694965 0.86 MAPT (0.60) TGFBR1ROCK2ROCK1AURKBCLK2
SCHEMBL3582617 0.85 ROCK2 (0.56) TGFBR1ROCK2ROCK1AURKBCLK2
Trifluoroacetic Acid SCHEMBL3588103 0.84 ROCK2 (0.52) TGFBR1ROCK2ROCK1AURKBCLK2
SCHEMBL221437 0.83 RET (0.66) TGFBR1ROCK2MKNK1CDC7ROCK1

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 18 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-1478629-A1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATIVES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP claimed
EP-1370553-A2 RHO-KINASE INHIBITORS Bayer Corporation (US) 2003-12-17 EP claimed
WO-2003072553-A1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO 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-1658286-A1 N-ARYL-2-CYANOOXAZOLIDINONES AND THEIR DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2006-05-24 EP disclosed
EP-1370553-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 EP disclosed
WO-2005019213-A1 N-ARYL-2-CYANOOXAZOLIDINONES AND THEIR DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2005-03-03 WO 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 1599/4885ROCK2 3/4885MKNK1 244/4885
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 8/4885MKNK1 255/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 TGFBR1 1599/4885ROCK2 3/4885MKNK1 244/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA TGFBR1 644/4885ROCK2 2/4885MKNK1 596/4885

“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.