SCHEMBL3577643

SCHEMBL3577643

Clc1ccccc1Nc1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 9/20 0.58
ULK1 O75385 1/20 0.57
TGFBR1 P36897 1/20 0.56
ROCK2 O75116 6/20 0.56
NPY5R Q15761 2/20 0.54
RAD52 P43351 1/20 0.51

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
SCHEMBL3582293 0.87 PAK4 (0.58) PAK4ULK1TGFBR1ROCK2RAD52
SCHEMBL3590277 0.87 NPY5R (0.67) PAK4ULK1TGFBR1ROCK2NPY5R
SCHEMBL3582538 0.87 ULK1 (0.66) PAK4ULK1TGFBR1ROCK2NPY5R
SCHEMBL3581297 0.85 ULK1 (0.59) PAK4ULK1TGFBR1ROCK2NPY5R
SCHEMBL3583927 0.85 ROCK2 (0.58) PAK4ULK1TGFBR1ROCK2NPY5R
SCHEMBL5735883 0.84 ULK1 (0.63) PAK4ULK1TGFBR1ROCK2NPY5R
SCHEMBL3579380 0.84 ULK1 (0.62) PAK4ULK1TGFBR1ROCK2NPY5R
SCHEMBL3586643 0.83 TGFBR1 (0.63) PAK4ULK1TGFBR1ROCK2
SCHEMBL29445613 0.83 TGFBR1 (0.63) PAK4ULK1TGFBR1ROCK2
SCHEMBL3583297 0.83 ULK1 (0.61) PAK4ULK1TGFBR1ROCK2NPY5R

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 PAK4 178/4885ULK1 1612/4885TGFBR1 1599/4885
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease CIT, PDE3A, PDE2A PAK4 351/4885ULK1 894/4885TGFBR1 1926/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 PAK4 178/4885ULK1 1612/4885TGFBR1 1599/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA PAK4 414/4885ULK1 1316/4885TGFBR1 644/4885

“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.