SCHEMBL4154355

SCHEMBL4154355

COc1c[c]cnc1.NC(=O)c1cc[c]cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.50
MKNK2 Q9HBH9 3/20 0.50
PARP10 Q53GL7 5/20 0.49
PARP1 P09874 2/20 0.49
PARP4 Q9UKK3 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
MAP4K4 O95819 1/20 0.47
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAPKAPK2 P49137 2/20 0.40
HPGDS O60760 1/20 0.40
NNMT P40261 1/20 0.40
CHEK2 O96017 2/20 0.39
VNN1 O95497 2/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP14 Q460N5 1/20 0.36

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
SCHEMBL182891 0.79
SCHEMBL55043 0.73
SCHEMBL309392 0.71
SCHEMBL201761 0.67 PARP10 (1.00) PARP10PARP1PARP4CA1CA2
SCHEMBL9565016 0.67 LMNA (0.39) KMT2AALDH1A1
SCHEMBL9448469 0.67 MKNK1 (0.66) MKNK1MKNK2PARP10PARP1PARP4
SCHEMBL2232322 0.67 PARP1 (0.55) MKNK1MKNK2PARP10PARP1PARP4
SCHEMBL4154358 0.67 MKNK1 (0.63) MKNK1MKNK2PARP10PARP1PARP4
SCHEMBL2750332 0.66 CYP1A1 (0.41) MKNK2MAP4K4CYP11B1CYP11B2ALDH1A1
SCHEMBL28348727 0.66 L3MBTL1 (0.46) PARP10PARP1PARP4CA1CA2

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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 US claimed
WO-2006072792-A2 COMPOUNDS WHICH BIND TO THE ACTIVE SITE OF PROTEIN KINASE ENZYMES GALAPAGOS NV (BE) 2006-07-13 WO claimed
EP-1644365-A2 PYRAZINE AND PYRIDINE DERIVATIVES AS RHO KINASE INHIBITORS Biofocus Discovery Ltd (GB) 2006-04-12 EP claimed
WO-2005003101-A2 PYRAZINE AND PYRIDINE DERIVATIVES AS RHO KINASE INHIBITORS BIOFOCUS DISCOVERY LIMITED (GB) 2005-01-13 WO claimed
WO-2006072792-A2 COMPOUNDS WHICH BIND TO THE ACTIVE SITE OF PROTEIN KINASE ENZYMES GALAPAGOS NV (BE) 2006-07-13 WO disclosed
EP-1644365-A2 PYRAZINE AND PYRIDINE DERIVATIVES AS RHO KINASE INHIBITORS Biofocus Discovery Ltd (GB) 2006-04-12 EP disclosed
WO-2005003101-A2 PYRAZINE AND PYRIDINE DERIVATIVES AS RHO KINASE INHIBITORS BIOFOCUS DISCOVERY LIMITED (GB) 2005-01-13 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT MKNK1 210/4885MKNK2 213/4885PARP10 217/4885

“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.