SCHEMBL306605

SCHEMBL306605

COc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)c2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.64
CYP3A4 P08684 2/20 0.64
PRKG1 Q13976 1/20 0.55
NAMPT P43490 3/20 0.52
LMNA P02545 1/20 0.49
SENP5 Q96HI0 1/20 0.48
SENP2 Q9HC62 1/20 0.48
SENP1 Q9P0U3 1/20 0.48
THRB P10828 1/20 0.47
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
ACKR3 P25106 1/20 0.47
ESR2 Q92731 1/20 0.46
WDR5 P61964 1/20 0.46
TMPRSS2 O15393 1/20 0.45

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
SCHEMBL306850 0.87 ROCK2 (0.84) ROCK2CYP3A4PRKG1
SCHEMBL306811 0.84 ROCK2 (0.88) ROCK2CYP3A4PRKG1
SCHEMBL306438 0.84 ROCK2 (0.60) ROCK2CYP3A4PRKG1NAMPTTHRB
SCHEMBL308958 0.82 ROCK2 (0.56) ROCK2CYP3A4PRKG1NAMPTABCB1
SCHEMBL306609 0.81 ROCK2 (0.55) ROCK2CYP3A4PRKG1NAMPTESR2
SCHEMBL306845 0.80 ROCK2 (0.60) ROCK2CYP3A4PRKG1LMNASENP5
SCHEMBL307271 0.79 ROCK2 (0.88) ROCK2CYP3A4PRKG1NAMPTSENP5
SCHEMBL306795 0.78 ROCK2 (1.00) ROCK2CYP3A4PRKG1
SCHEMBL1789738 0.78 SMN1; SMN2 (0.55) LMNAESR2
SCHEMBL15876268 0.77 ROCK2 (0.71) ROCK2CYP3A4PRKG1NAMPTLMNA

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 10 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
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 4/4885CYP3A4 2048/4885PRKG1 9/4885

“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.