SCHEMBL308230

SCHEMBL308230

CN(C)Cc1cccc(CNC(=O)c2cccc(CN)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.59
ROCK2 O75116 11/20 0.55
CYP3A4 P08684 2/20 0.55
HTR2C P28335 1/20 0.55
CYP2C19 P33261 1/20 0.53
ROCK1 Q13464 1/20 0.52
MMP13 P45452 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.50
BCHE P06276 1/20 0.50
PPARG P37231 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL18970375 0.86 HDAC2 (0.64) CFDROCK2CYP3A4CYP2C19PPARG
SCHEMBL14899838 0.82 CFD (0.66) CFDROCK2HTR2CROCK1MMP13
SCHEMBL4928443 0.82 CFD (0.74) CFDHTR2CCYP2C19LOXL2PPARG
SCHEMBL25718860 0.81 ROCK2 (0.75) ROCK2CYP3A4ROCK1MMP13
SCHEMBL20862964 0.81 CFD (0.57) CFDROCK2HTR2CMMP13LOXL2
SCHEMBL20863060 0.80 NR1H4 (0.58) CFDROCK2HTR2CROCK1MMP13
SCHEMBL6581113 0.80 ALDH1A1 (0.54) ROCK2CYP3A4CYP2C19LOXL2
SCHEMBL4925434 0.80 CFD (0.62) CFDROCK2HTR2CCYP2C19ROCK1
SCHEMBL5109753 0.80 LOXL2 (0.54) CFDHTR2CLOXL2
SCHEMBL307678 0.79 ROCK2 (0.67) ROCK2CYP3A4CYP2C19LOXL2

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 9 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 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
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 CFD 4435/4885ROCK2 4/4885CYP3A4 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.