SCHEMBL4154358

SCHEMBL4154358

COc1cncc(-c2[c]ccc(C(N)=O)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.63
MKNK2 Q9HBH9 4/20 0.63
MAP4K4 O95819 1/20 0.52
CYP11B2 P19099 5/20 0.48
CYP11B1 P15538 4/20 0.48
ALOX5AP P20292 1/20 0.44
PARP1 P09874 2/20 0.43
AKR1C3 P42330 1/20 0.41
PARP10 Q53GL7 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PARP4 Q9UKK3 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
HPGDS O60760 1/20 0.39
CHEK2 O96017 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
CYP1A1 P04798 1/20 0.37

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
SCHEMBL3662153 0.77 MKNK1 (0.72) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL9448469 0.73 MKNK1 (0.66) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL358188 0.72 PARP1 (0.49) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL1758530 0.69 MAP4K4 (0.83) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL29870407 0.69 MAP4K4 (0.83) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL7706911 0.69 PARP10 (0.57) AKR1C3PARP10PARP2PARP4CHEK2
SCHEMBL7971781 0.68 CYP11B1 (0.39) MKNK1MKNK2CYP11B2CYP11B1CYP1A2
SCHEMBL8163067 0.68 PRSS1 (0.54) MAP4K4PARP1PARP10CA1CA2
SCHEMBL24226987 0.67 MKNK1 (0.75) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL5702666 0.67 CYP1A1 (0.74) MKNK1MKNK2MAP4K4CYP11B2CYP11B1

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 213/4885MAP4K4 75/4885

“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.