SCHEMBL307678

SCHEMBL307678

CN(C)Cc1ccc(NC(=O)c2cccc(CN)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.67
CYP3A4 P08684 2/20 0.61
CYP2C19 P33261 1/20 0.59
PLAU P00749 2/20 0.53
LOXL2 Q9Y4K0 2/20 0.52
KLKB1 P03952 2/20 0.51
PLG P00747 1/20 0.51
PLAT P00750 1/20 0.51
PRSS1 P07477 1/20 0.51
MEN1 O00255 1/20 0.49
FFAR1 O14842 1/20 0.49
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL10160403 0.88 ROCK2 (0.65) ROCK2CYP3A4CYP2C19PLAUKLKB1
SCHEMBL15876355 0.85 ROCK2 (0.72) ROCK2CYP3A4CYP2C19PLAUMEN1
SCHEMBL15888443 0.83 ROCK2 (0.61) ROCK2PLAULOXL2KLKB1PLG
SCHEMBL307838 0.82 ROCK2 (0.81) ROCK2CYP3A4CYP2C19PLAU
SCHEMBL15653197 0.82 PTGS1 (0.59) ROCK2PLAULOXL2KLKB1PLG
SCHEMBL15888437 0.82 ROCK2 (0.70) ROCK2CYP3A4CYP2C19MEN1FFAR1
SCHEMBL10160238 0.82 ROCK2 (0.74) ROCK2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL19964495 0.82 LOXL2 (0.62) ROCK2PLAULOXL2MEN1KMT2A
SCHEMBL319411 0.81 ROCK2 (0.82) ROCK2CYP3A4CYP2C19
SCHEMBL307307 0.81 ROCK2 (0.86) ROCK2CYP3A4CYP2C19MEN1KMT2A

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 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
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.