SCHEMBL13220367

SCHEMBL13220367

c1cc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.52
ROCK1 Q13464 7/20 0.47
PAK4 O96013 4/20 0.46
FLT1 P17948 2/20 0.46
GSK3B P49841 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
DYRK3 O43781 1/20 0.46
JAK2 O60674 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
IGF1R P08069 1/20 0.46
MET P08581 1/20 0.46
ROS1 P08922 1/20 0.46
FGFR1 P11362 1/20 0.46
PRKACA P17612 1/20 0.46

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
SCHEMBL13220283 0.91 PAK4 (0.56) ROCK2ROCK1PAK4FLT1GSK3B
SCHEMBL13220365 0.90 CLK1 (0.50) ROCK2ROCK1PAK4FLT1GSK3B
SCHEMBL13220284 0.89 ROCK2 (0.51) ROCK2ROCK1PAK4FLT1GSK3B
SCHEMBL13220311 0.89 ROCK2 (0.51) ROCK2ROCK1PAK4FLT1GSK3B
SCHEMBL13220298 0.89 ROCK2 (0.51) ROCK2ROCK1PAK4FLT1GSK3B
SCHEMBL13220313 0.88 ROCK2 (0.52) ROCK2ROCK1PAK4FLT1GSK3B
SCHEMBL13220493 0.88 ROCK2 (0.55) ROCK2ROCK1PAK4FLT1CLK4
SCHEMBL13220489 0.87 ROCK2 (0.51) ROCK2ROCK1PAK4FLT1GSK3B
SCHEMBL13220382 0.87 ROCK2 (0.51) ROCK2ROCK1PAK4FLT1GSK3B
SCHEMBL13220424 0.87 ROCK2 (0.59) ROCK2ROCK1PAK4FLT1GSK3B

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 2/4885PAK4 178/4885
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 7/4885PAK4 340/4885

“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.