SCHEMBL306832

SCHEMBL306832

COc1ccc(C(=O)NCc2cccc(NC(=O)c3nc4c(s3)CNCC4)c2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.62
ROCK1 Q13464 4/20 0.62
PRKG1 Q13976 1/20 0.62
SENP5 Q96HI0 1/20 0.50
SENP2 Q9HC62 1/20 0.50
SENP1 Q9P0U3 1/20 0.50
CYP3A4 P08684 3/20 0.49
WDR5 P61964 1/20 0.47
PKN2 Q16513 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
PPARG P37231 1/20 0.46
RAB9A P51151 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 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
SCHEMBL15876372 0.88 ROCK2 (0.58) ROCK2ROCK1PRKG1SENP5SENP2
SCHEMBL306436 0.85 ROCK2 (0.79) ROCK2ROCK1PRKG1CYP3A4PKN2
SCHEMBL306622 0.85 ROCK2 (0.63) ROCK2ROCK1CYP3A4
SCHEMBL307271 0.81 ROCK2 (0.88) ROCK2PRKG1SENP5SENP2SENP1
SCHEMBL307555 0.79 ROCK2 (0.75) ROCK2ROCK1PRKG1CYP3A4
SCHEMBL306710 0.78 ROCK2 (0.74) ROCK2ROCK1PRKG1MAPT
SCHEMBL306740 0.77 ROCK2 (0.76) ROCK2ROCK1PRKG1CYP3A4PKN2
SCHEMBL17446572 0.76 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL306708 0.76 ROCK2 (1.00) ROCK2ROCK1PRKG1CYP3A4PKN2
SCHEMBL306739 0.76 ROCK2 (1.00) ROCK2ROCK1PRKG1CYP3A4PKN2

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 7 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
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 4/4885ROCK1 2/4885PRKG1 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.