SCHEMBL3586648

SCHEMBL3586648

CC(=O)Nc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.75
ABCG2 Q9UNQ0 3/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
KDM4E B2RXH2 2/20 0.70
MAPT P10636 2/20 0.70
MAPK1 P28482 1/20 0.70
ROCK1 Q13464 3/20 0.66
KDM1A O60341 1/20 0.66
CLK2 P49760 1/20 0.65
BLK P51451 1/20 0.65
CSNK2A1 P68400 1/20 0.65
STK3 Q13188 1/20 0.65
DYRK1A Q13627 1/20 0.65
AURKB Q96GD4 1/20 0.65
CLK4 Q9HAZ1 1/20 0.65
STK17A Q9UEE5 1/20 0.65
TGFBR1 P36897 1/20 0.62
ABCB1 P08183 1/20 0.61
ALDH1A1 P00352 1/20 0.61

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
SCHEMBL16872698 0.91 ROCK2 (0.69) ROCK2ABCG2MEN1KMT2AKDM4E
SCHEMBL14962652 0.91 ROCK2 (0.71) ROCK2ABCG2MEN1KMT2AKDM4E
SCHEMBL877412 0.90 ROCK2 (0.74) ROCK2ABCG2MEN1KMT2AKDM4E
SCHEMBL876855 0.89 ROCK2 (0.70) ROCK2ABCG2MEN1KMT2AKDM4E
SCHEMBL882785 0.89 ROCK2 (0.74) ROCK2ABCG2MEN1KMT2AKDM4E
SCHEMBL3796260 0.89 ROCK2 (0.67) ROCK2ABCG2MEN1KMT2AKDM4E
SCHEMBL3794644 0.89 ROCK2 (0.67) ROCK2ABCG2MEN1KMT2AKDM4E
SCHEMBL882568 0.89 ROCK2 (0.76) ROCK2ABCG2MEN1KMT2AKDM4E
SCHEMBL882470 0.88 ROCK2 (0.73) ROCK2ABCG2MEN1KMT2AKDM4E
SCHEMBL3795158 0.88 ROCK2 (0.66) ROCK2ABCG2MEN1KMT2AKDM4E

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 15 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-8357693-B2 Pharmacokinetically improved compounds SURFACE LOGIX, INC. (US) 2013-01-22 US disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 US disclosed
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 (5 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 ROCK2 3/4885ABCG2 3107/4885MEN1 1946/4885
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease CIT, PDE3A, PDE2A ROCK2 8/4885ABCG2 1193/4885MEN1 1046/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 ROCK2 3/4885ABCG2 3107/4885MEN1 1946/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885ABCG2 280/4885MEN1 385/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA ROCK2 2/4885ABCG2 4736/4885MEN1 1552/4885

“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.