SCHEMBL13220366

SCHEMBL13220366

c1ccc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.60
PTK2B Q14289 1/20 0.60
ROCK2 O75116 7/20 0.50
ADORA2A P29274 3/20 0.49
ADORA2B P29275 3/20 0.49
PAK4 O96013 7/20 0.46
ROCK1 Q13464 5/20 0.46
FLT1 P17948 2/20 0.44
EGFR P00533 1/20 0.44
DYRK3 O43781 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
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
IGF1R P08069 1/20 0.42
MET P08581 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
SCHEMBL13220369 0.92 PAK4 (0.52) PTK2PTK2BROCK2ADORA2AADORA2B
SCHEMBL13220283 0.87 PAK4 (0.56) PTK2ROCK2PAK4ROCK1FLT1
SCHEMBL13220401 0.86 ROCK2 (0.52) PTK2PTK2BROCK2PAK4ROCK1
SCHEMBL13220367 0.84 ROCK2 (0.52) PTK2ROCK2ADORA2AADORA2BPAK4
SCHEMBL13220488 0.84 ROCK2 (0.54) PTK2ROCK2PAK4ROCK1FLT1
SCHEMBL13220295 0.83 ROCK2 (0.50) PTK2PTK2BROCK2PAK4ROCK1
SCHEMBL13220286 0.83 ROCK2 (0.50) PTK2ROCK2PAK4ROCK1FLT1
SCHEMBL13220365 0.83 CLK1 (0.50) PTK2ROCK2ADORA2AADORA2BPAK4
SCHEMBL13220486 0.83 PAK4 (0.51) ROCK2PAK4ROCK1FLT1EGFR
SCHEMBL13220394 0.82 PAK4 (0.57) PTK2ROCK2PAK4ROCK1FLT1

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 PTK2 129/4885PTK2B 494/4885ROCK2 3/4885
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 PTK2 136/4885PTK2B 166/4885ROCK2 8/4885

“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.