SCHEMBL3033771

SCHEMBL3033771

Nc1ccc2c(cnn2-c2nc(Cl)nc3ccsc23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37
TUBB2A Q13885 2/20 0.37
TUBB8 Q3ZCM7 2/20 0.37
TUBA3E Q6PEY2 2/20 0.37
TUBA1A Q71U36 2/20 0.37
TUBA1C Q9BQE3 2/20 0.37
TUBB6 Q9BUF5 2/20 0.37
TUBB2B Q9BVA1 2/20 0.37
TUBB1 Q9H4B7 2/20 0.37
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36

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
SCHEMBL29695682 0.72 CHEK1 (0.43) CHEK1AURKADAPK3CSNK1A1GSK3A
Ammonia Solution, Strong SCHEMBL28709962 0.71 NR3C1 (0.37) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL29445654 0.69 NR3C1 (0.37) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL3679866 0.68 ADORA2A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29445652 0.68 NR3C1 (0.37) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL13836976 0.66 CHEK1 (0.50) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL29695764 0.66 CHEK1 (0.41) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL9383494 0.66 ADORA2A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20589783 0.65 PDE4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9210022 0.64 MAPT (0.52)

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-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
EP-1465900-A1 RHO-KINASE INHIBITORS Bayer HealthCare AG (DE) 2004-10-13 EP disclosed
US-20040014755-A1 Rho-kinase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-01-22 US disclosed
WO-2003059913-A1 ROH-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2003-07-24 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 (3 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-20040014755-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 TUBB4A 640/4885TUBB 474/4885TUBA3C 992/4885
US-20100216789-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 TUBB4A 640/4885TUBB 474/4885TUBA3C 992/4885
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 TUBB4A 953/4885TUBB 631/4885TUBA3C 928/4885

“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.