SCHEMBL307780

SCHEMBL307780

CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)c3cccc(C(F)(F)F)c3)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.72
CYP3A4 P08684 3/20 0.67
CYP2C19 P33261 2/20 0.65
LSS P48449 1/20 0.60
LMNA P02545 2/20 0.55
PTGS1 P23219 1/20 0.55
MLYCD O95822 1/20 0.53
P2RX1 P51575 1/20 0.52
MEN1 O00255 1/20 0.52
PLA2G1B P04054 1/20 0.52
CYP1A2 P05177 1/20 0.52
GAA P10253 1/20 0.52
CYP2D6 P10635 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL308209 0.84 ROCK2 (0.77) ROCK2CYP3A4CYP2C19LSS
SCHEMBL307838 0.84 ROCK2 (0.81) ROCK2CYP3A4CYP2C19
SCHEMBL307408 0.84 ROCK2 (1.00) ROCK2CYP3A4CYP2C19LSS
SCHEMBL11715172 0.83 LMNA (0.71) LMNAPTGS1MLYCDP2RX1MEN1
SCHEMBL307307 0.83 ROCK2 (0.86) ROCK2CYP3A4CYP2C19LSSMEN1
SCHEMBL307306 0.82 ROCK2 (0.68) ROCK2CYP3A4CYP2C19RAB9A
SCHEMBL306526 0.82 ROCK2 (0.80) ROCK2CYP3A4CYP2C19
SCHEMBL306324 0.82 ROCK2 (0.78) ROCK2CYP3A4CYP2C19LMNAMEN1
SCHEMBL307322 0.82 ROCK2 (0.78) ROCK2CYP3A4CYP2C19LMNA
SCHEMBL14135072 0.82 ROCK2 (0.68) ROCK2CYP3A4CYP2C19LSS

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 14 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
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.