SCHEMBL3687151

SCHEMBL3687151

CCC(N)c1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.72
ROCK1 Q13464 2/20 0.72
KDM4E B2RXH2 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
STAT3 P40763 2/20 0.56
KMT2A Q03164 3/20 0.55
NT5E P21589 1/20 0.55
GAA P10253 2/20 0.54
JAK2 O60674 1/20 0.54
TYK2 P29597 1/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 1/20 0.54
ALDH1A1 P00352 3/20 0.52
TP53 P04637 2/20 0.52
MAPK1 P28482 1/20 0.52
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
HTT P42858 1/20 0.50

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
Hydrochloric Acid SCHEMBL5466118 0.99 ROCK2 (0.72) ROCK2ROCK1KDM4EL3MBTL1LMNA
SCHEMBL5451870 0.89 ROCK2 (0.68) ROCK2ROCK1KDM4EL3MBTL1LMNA
SCHEMBL2793935 0.87 ROCK2 (0.69) ROCK2ROCK1KDM4EL3MBTL1LMNA
SCHEMBL2790408 0.87 ROCK2 (0.69) ROCK2ROCK1KDM4EL3MBTL1LMNA
SCHEMBL2795043 0.87 ROCK2 (0.69) ROCK2ROCK1KDM4EL3MBTL1LMNA
SCHEMBL5473994 0.87 ROCK2 (0.65) ROCK2ROCK1KDM4EL3MBTL1LMNA
SCHEMBL2792305 0.86 ROCK2 (0.68) ROCK2ROCK1KDM4EL3MBTL1LMNA
SCHEMBL6557935 0.86 ROCK2 (0.68) ROCK2ROCK1KDM4EL3MBTL1LMNA
Hydrochloric Acid SCHEMBL2794136 0.86 ROCK2 (0.70) ROCK2ROCK1KDM4EL3MBTL1LMNA
Hydrochloric Acid SCHEMBL2789873 0.86 ROCK2 (0.70) ROCK2ROCK1KDM4EL3MBTL1LMNA

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-1715862-A1 KINASE INHIBITORS Devgen NV (BE) 2006-11-02 EP claimed
WO-2005082367-A1 KINASE INHIBITORS DEVGEN NV (BE) 2005-09-09 WO claimed
WO-2010049173-A1 USE OF INHIBITORS OF HOST KINASES FOR THE TREATMENT OF INFECTIOUS DISEASES CENIX BIOSCIENCE GMBH (DE) 2010-05-06 WO disclosed
US-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 US disclosed
US-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 US disclosed
EP-1391454-A1 Substituted benzamide compounds with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2004-02-25 EP disclosed
EP-1195372-A1 N-heterocyclic substituted benzamide derivatives with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2002-04-10 EP disclosed
US-6156766-A Benzamide compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-12-05 US disclosed
US-5958944-A TREATMENT OF CIRCULATORY DISEASES IN CORONARY, CEREBRAL, RENAL AND PERIPHERAL ARTERIES, AS A THERAPEUTIC AGENT FOR HYPERTENSION, ANGINA PECTORIS, AND RENAL AND PERIPHERAL CIRCULATION DISORDER, ANTIASTHMATIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-28 US disclosed
EP-0757038-A1 BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-05 EP 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-20070191420-A1 Kinase inhibitors ROCK1, ROCK2, MAP3K20 ROCK2 2/4885ROCK1 1/4885KDM4E 569/4885

“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.