SCHEMBL2728632

SCHEMBL2728632

N#Cc1ccc(-c2cn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(N4CCc6ccccc64)CC5)c3)nn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.51
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARG P37231 1/20 0.42
KMT2A Q03164 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42

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
SCHEMBL6032069 0.92 ROCK2 (0.46) ROCK2KDM4EMEN1USP2CYP3A4
SCHEMBL10065676 0.89 ROCK2 (0.49) ROCK2KDM4EMEN1USP2CYP3A4
SCHEMBL2728687 0.88 ROCK2 (0.66) ROCK2
SCHEMBL2725360 0.88 ROCK2 (0.58) ROCK2
SCHEMBL2725363 0.88 ROCK2 (0.58) ROCK2
SCHEMBL2726997 0.87 ROCK2 (0.58) ROCK2
SCHEMBL2726527 0.87 ROCK2 (0.66) ROCK2
SCHEMBL2726525 0.87 ROCK2 (0.66) ROCK2
SCHEMBL2727820 0.85 ROCK2 (0.56) ROCK2
SCHEMBL6033381 0.85 ROCK2 (0.61) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630144-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-09-07 EP disclosed
EP-2630144-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-09-07 EP disclosed
US-9000154-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 US disclosed
US-9000154-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 US disclosed
US-9000154-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 US disclosed
EP-2630144-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-08-28 EP disclosed
US-20120270868-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120270868-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120270868-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
WO-2012054367-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 WO disclosed
WO-2012054367-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 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-20120270868-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA ROCK2 2/4885KDM4E 1910/4885MEN1 1355/4885

“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.