SCHEMBL306385

SCHEMBL306385

COc1ccc(NC(=O)Cc2cccc(NC(=O)c3ccc4c(c3)CNCC4)c2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.70
PRKG1 Q13976 2/20 0.70
ITGB3 P05106 6/20 0.58
ITGA2B P08514 4/20 0.58
ITGA2 P17301 4/20 0.58
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
KMT2A Q03164 2/20 0.53
PKN2 Q16513 2/20 0.53
PRKCE Q02156 1/20 0.53
MELK Q14680 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.47
STAT3 P40763 1/20 0.47
POLB P06746 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
SCHEMBL307386 0.96 ROCK2 (0.70) ROCK2PRKG1ITGB3ITGA2BITGA2
SCHEMBL15876298 0.86 ROCK2 (0.54) ROCK2PRKG1ITGB3ITGA2BITGA2
SCHEMBL306085 0.84 ROCK2 (0.70) ROCK2PRKG1SMN1; SMN2LMNAHTT
SCHEMBL307271 0.83 ROCK2 (0.88) ROCK2PRKG1ITGB3ITGA2BITGA2
SCHEMBL15876343 0.82 ROCK2 (0.54) ROCK2PRKG1ITGB3ITGA2BITGA2
SCHEMBL306708 0.82 ROCK2 (1.00) ROCK2PRKG1ITGB3ITGA2BITGA2
Hydrochloric Acid SCHEMBL309083 0.81 ROCK2 (0.98) ROCK2PRKG1ITGB3ITGA2BITGA2
SCHEMBL11729866 0.80 ROCK2 (0.77) ROCK2PRKG1ITGB3ITGA2BITGA2
SCHEMBL306739 0.79 ROCK2 (1.00) ROCK2PRKG1ITGB3ITGA2BITGA2
SCHEMBL306920 0.78 ROCK2 (0.85) 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 9/4885ITGB3 4516/4885

“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.