SCHEMBL307386

SCHEMBL307386

COc1ccc(NC(=O)Cc2cccc(NC(=O)c3ccc4c(c3)CCNC4)c2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.70
PRKG1 Q13976 2/20 0.65
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ITGB3 P05106 3/20 0.54
ITGA2B P08514 3/20 0.54
ITGA2 P17301 2/20 0.54
KMT2A Q03164 2/20 0.53
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50
PLAT P00750 1/20 0.50
KLKB1 P03952 1/20 0.50
PRSS1 P07477 1/20 0.50
PRKCE Q02156 1/20 0.49
PKN2 Q16513 1/20 0.49
CYP3A4 P08684 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL306385 0.96 ROCK2 (0.70) ROCK2PRKG1SMN1; SMN2LMNAHTT
SCHEMBL307271 0.86 ROCK2 (0.88) ROCK2PRKG1NPSR1ITGB3ITGA2B
SCHEMBL15876343 0.86 ROCK2 (0.54) ROCK2PRKG1SMN1; SMN2LMNAHTT
SCHEMBL11729866 0.84 ROCK2 (0.77) ROCK2PRKG1SMN1; SMN2ITGB3ITGA2B
SCHEMBL15876298 0.82 ROCK2 (0.54) ROCK2PRKG1SMN1; SMN2LMNAHTT
SCHEMBL306739 0.82 ROCK2 (1.00) ROCK2PRKG1ITGB3ITGA2BITGA2
SCHEMBL306085 0.82 ROCK2 (0.70) ROCK2PRKG1SMN1; SMN2LMNAHTT
SCHEMBL306920 0.81 ROCK2 (0.85) ROCK2PRKG1SMN1; SMN2LMNAITGB3
SCHEMBL307313 0.79 ROCK2 (0.76) ROCK2PRKG1ITGB3ITGA2BITGA2
SCHEMBL306708 0.79 ROCK2 (1.00) ROCK2PRKG1ITGB3ITGA2BITGA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US 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
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 4/4885PRKG1 9/4885SMN1; SMN2 2901/4885

“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.