SCHEMBL307104

SCHEMBL307104

CN1CCc2ccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(C#N)cc4)c3)cc2C1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2C19 P33261 1/20 0.64
PKN2 Q16513 1/20 0.64
ROCK1 Q13464 1/20 0.57

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
SCHEMBL316749 0.89 ROCK2 (0.62) ROCK2CYP3A4ROCK1
SCHEMBL10159696 0.89 ROCK2 (0.64) ROCK2CYP3A4PKN2ROCK1
SCHEMBL15876345 0.86 ROCK2 (0.52) ROCK2CYP3A4CYP2C19PKN2ROCK1
SCHEMBL306609 0.84 ROCK2 (0.55) ROCK2CYP3A4CYP2C19PKN2
SCHEMBL307523 0.82 ROCK2 (0.82) ROCK2CYP3A4CYP2C19PKN2
SCHEMBL307540 0.81 ROCK2 (0.64) ROCK2CYP3A4CYP2C19PKN2ROCK1
SCHEMBL10022650 0.80 ROCK2 (0.70) ROCK2CYP3A4ROCK1
SCHEMBL6293584 0.78 ROCK2 (0.73) ROCK2CYP3A4ROCK1
SCHEMBL10159996 0.78 ROCK2 (0.73) ROCK2CYP3A4ROCK1
SCHEMBL10022538 0.78 ROCK2 (1.00) 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 8 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
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP 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-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 2048/4885CYP2C19 1265/4885

“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.