SCHEMBL13220486

SCHEMBL13220486

c1ccc2c(CNc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cccc2c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 12/20 0.51
ROCK2 O75116 6/20 0.49
ROCK1 Q13464 3/20 0.45
EGFR P00533 1/20 0.44
FLT1 P17948 1/20 0.44
TGFBR1 P36897 1/20 0.43

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
SCHEMBL13220286 0.88 ROCK2 (0.50) PAK4ROCK2ROCK1EGFRFLT1
SCHEMBL13220295 0.88 ROCK2 (0.50) PAK4ROCK2ROCK1EGFRFLT1
SCHEMBL13220478 0.86 ROCK2 (0.51) PAK4ROCK2ROCK1EGFRFLT1
SCHEMBL13220283 0.86 PAK4 (0.56) PAK4ROCK2ROCK1EGFRFLT1
SCHEMBL13220380 0.86 PTK2 (0.51) PAK4ROCK2ROCK1FLT1
SCHEMBL13220378 0.86 MEN1 (0.52) PAK4ROCK2ROCK1
SCHEMBL13220287 0.84 ROCK2 (0.47) PAK4ROCK2ROCK1EGFRFLT1
SCHEMBL13220488 0.83 ROCK2 (0.54) PAK4ROCK2ROCK1EGFRFLT1
SCHEMBL13220490 0.83 ROCK1 (0.49) PAK4ROCK2ROCK1EGFRFLT1
SCHEMBL3044720 0.83 ROCK2 (0.55) PAK4ROCK2ROCK1EGFRFLT1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216789-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPALAN 2010-08-26 US disclosed
US-20100216789-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPALAN 2010-08-26 US disclosed
US-7648986-B2 Substituted thieno[3,2-D]pyrimidines as Rho kinase inhibitors BAYER HEALTHCARE LLC (US) 2010-01-19 US disclosed
US-7648986-B2 Substituted thieno[3,2-D]pyrimidines as Rho kinase inhibitors BAYER HEALTHCARE LLC (US) 2010-01-19 US disclosed
US-20070238741-A1 Hypertension, atherosclerosis, restenosis, cerebral ischemia, cerebral vasospasm, or erectile dysfunction; 2-(5-chloro-2-thienyl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-10-11 US disclosed
US-20070238741-A1 Hypertension, atherosclerosis, restenosis, cerebral ischemia, cerebral vasospasm, or erectile dysfunction; 2-(5-chloro-2-thienyl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-10-11 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 (2 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-20100216789-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 PAK4 178/4885ROCK2 3/4885ROCK1 2/4885
US-20070238741-A1 Hypertension, atherosclerosis, restenosis, cerebral ischemia, cerebral vasospasm, or erectile dysfunction; 2-(5-chloro-2-thienyl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine CIT, PTGIS, PTGIR PAK4 340/4885ROCK2 8/4885ROCK1 7/4885

“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.