SCHEMBL306622

SCHEMBL306622

COc1ccc(C(=O)NCc2cccc(NC(=O)c3nc4c(s3)CN(C)CC4)c2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.63
CYP3A4 P08684 1/20 0.63
ROCK1 Q13464 1/20 0.61
F10 P00742 5/20 0.57
ALOX15 P16050 1/20 0.53

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
SCHEMBL15876297 0.88 ROCK2 (0.58) ROCK2CYP3A4ROCK1ALOX15
SCHEMBL307096 0.85 ROCK2 (0.78) ROCK2ROCK1
SCHEMBL306832 0.85 ROCK2 (0.62) ROCK2CYP3A4ROCK1
SCHEMBL10160638 0.82 ROCK2 (0.61) ROCK2CYP3A4ROCK1
SCHEMBL306811 0.81 ROCK2 (0.88) ROCK2CYP3A4ROCK1
SCHEMBL306850 0.81 ROCK2 (0.84) ROCK2CYP3A4ROCK1
SCHEMBL307983 0.79 ROCK2 (0.74) ROCK2ROCK1
SCHEMBL307011 0.79 ROCK2 (0.73) ROCK2ROCK1
SCHEMBL306795 0.77 ROCK2 (1.00) ROCK2CYP3A4ROCK1
SCHEMBL306858 0.77 ROCK2 (0.77) ROCK2CYP3A4ROCK1

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-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US claimed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 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 (1 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-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 ROCK2 4/4885CYP3A4 2048/4885ROCK1 2/4885

“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.