SCHEMBL13220401

SCHEMBL13220401

c1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.52
ROCK1 Q13464 5/20 0.47
FLT1 P17948 3/20 0.46
EGFR P00533 3/20 0.46
PTK2 Q05397 2/20 0.44
PTK2B Q14289 1/20 0.44
MKNK1 Q9BUB5 2/20 0.44
ULK1 O75385 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
PAK4 O96013 3/20 0.42
KDR P35968 3/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL13220503 0.87 ROCK2 (0.51) ROCK2ROCK1FLT1EGFRPTK2
SCHEMBL13220410 0.86 ROCK2 (0.52) ROCK2ROCK1FLT1EGFRPTK2
SCHEMBL3044720 0.86 ROCK2 (0.55) ROCK2ROCK1FLT1EGFRPTK2
SCHEMBL13220366 0.86 PTK2 (0.60) ROCK2ROCK1FLT1EGFRPTK2
SCHEMBL13220402 0.85 ROCK2 (0.51) ROCK2ROCK1FLT1EGFRPTK2
SCHEMBL13220497 0.85 ROCK2 (0.51) ROCK2ROCK1FLT1EGFRPTK2
SCHEMBL13547660 0.85 ROCK2 (0.51) ROCK2ROCK1FLT1EGFRPTK2
SCHEMBL13220333 0.85 ROCK2 (0.51) ROCK2ROCK1FLT1EGFRMKNK1
SCHEMBL13220405 0.85 ROCK2 (0.51) ROCK2ROCK1FLT1EGFRPTK2
SCHEMBL13220345 0.84 ROCK2 (0.52) ROCK2ROCK1FLT1EGFRPTK2

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 7 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
EP-1465900-B1 RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2008-05-14 EP 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 ROCK2 3/4885ROCK1 2/4885FLT1 699/4885
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 ROCK2 8/4885ROCK1 7/4885FLT1 50/4885

“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.