SCHEMBL307709

SCHEMBL307709

N#Cc1ccc(NC(=O)NCc2cccc(C(=O)NCCC3CCNCC3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 1.00
PKN2 Q16513 4/20 0.81
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
CHRM4 P08173 1/20 0.47
NAMPT P43490 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKG1 Q13976 1/20 0.46
CCR3 P51677 1/20 0.46
CHRM3 P20309 2/20 0.46
PRMT3 O60678 1/20 0.44

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
SCHEMBL307449 0.89 ROCK2 (1.00) ROCK2PKN2CYP3A4CYP2C19NAMPT
SCHEMBL10196099 0.89 ROCK2 (0.80) ROCK2PKN2CYP3A4CYP2C19ITGB3
SCHEMBL15876280 0.82 ROCK2 (0.69) ROCK2PKN2CYP3A4CYP2C19NAMPT
SCHEMBL307285 0.81 ROCK2 (1.00) ROCK2PKN2CYP3A4CYP2C19CCR3
SCHEMBL10159699 0.80 ROCK2 (0.69) ROCK2PKN2CYP3A4CYP2C19NAMPT
SCHEMBL307993 0.80 ROCK2 (0.69) ROCK2PKN2CYP3A4CYP2C19NAMPT
SCHEMBL15876383 0.80 ROCK2 (0.67) ROCK2PKN2CYP3A4CYP2C19NAMPT
SCHEMBL15876344 0.80 ROCK2 (0.66) ROCK2PKN2CYP3A4CYP2C19NAMPT
SCHEMBL10195556 0.78 ROCK2 (0.81) ROCK2PKN2CYP3A4CYP2C19ITGB3
SCHEMBL306873 0.78 ROCK2 (0.72) ROCK2PKN2CYP3A4CYP2C19NAMPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP claimed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US claimed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US claimed
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP claimed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO claimed
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
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
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO 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 4/4885PKN2 332/4885CYP3A4 2048/4885

“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.