SCHEMBL1758374

SCHEMBL1758374

CCOc1ccc(-c2cncc(C(N)=O)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.61
CYP11B2 P19099 1/20 0.61
MAP4K4 O95819 3/20 0.59
PARP10 Q53GL7 1/20 0.59
MKNK1 Q9BUB5 6/20 0.58
MKNK2 Q9HBH9 6/20 0.58
CHEK2 O96017 2/20 0.51
CHRNA7 P36544 1/20 0.50
TTK P33981 1/20 0.49
MAPK8 P45983 1/20 0.49
DGAT1 O75907 1/20 0.48
FYN P06241 1/20 0.48

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
SCHEMBL25003801 0.86 ALDH1A1 (0.54) MAP4K4CHRNA7
SCHEMBL25002936 0.84 CYP11B1 (0.64) CYP11B1CYP11B2MAP4K4CHRNA7
SCHEMBL29870407 0.84 MAP4K4 (0.83) CYP11B1CYP11B2MAP4K4PARP10MKNK1
SCHEMBL1758530 0.84 MAP4K4 (0.83) CYP11B1CYP11B2MAP4K4PARP10MKNK1
SCHEMBL1787814 0.83 CYP11B2 (0.55) CYP11B1CYP11B2MAP4K4PARP10MKNK1
SCHEMBL9448534 0.82 PARP10 (0.56) PARP10
SCHEMBL12647206 0.79 MKNK1 (0.69) CYP11B1CYP11B2MAP4K4MKNK1MKNK2
SCHEMBL1758508 0.78 MKNK1 (0.63) CYP11B1CYP11B2MAP4K4PARP10MKNK1
SCHEMBL27995243 0.78 CYP11B2 (0.59) CYP11B1CYP11B2MAP4K4MKNK1MKNK2
SCHEMBL6754398 0.78 MKNK1 (0.67) CYP11B1CYP11B2MAP4K4MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943643-B2 Aryl substituted pyridines and the use thereof PURDUE PHARMA L.P. (US) 2011-05-17 US disclosed
US-20100048626-A1 Aryl Substituted Pyridines and the Use Thereof PURDUE PHARMA L.P. 2010-02-25 US disclosed
US-7579367-B2 Aryl substituted pyridines and the use thereof PURDUE PHARMA L.P. (US) 2009-08-25 US disclosed
US-20080194627-A9 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. (LU) 2008-08-14 US disclosed
US-20070010554-A1 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. (LU) 2007-01-11 US disclosed
US-7105549-B2 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. (LU) 2006-09-12 US disclosed
EP-1432419-A1 ARYL SUBSTITUTED PYRIDINECARBOXAMIDES AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2004-06-30 EP disclosed
US-20030055088-A1 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. 2003-03-20 US disclosed
WO-2003022276-A1 ARYL SUBSTITUTED PYRIDINECARBOXAMIDES AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2003-03-20 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 (4 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-20080194627-A9 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1C CYP11B1 899/4885CYP11B2 1341/4885MAP4K4 3422/4885
US-20100048626-A1 Aryl Substituted Pyridines and the Use Thereof CACNA1S, CACNA1E, CACNA1C CYP11B1 1015/4885CYP11B2 1486/4885MAP4K4 3279/4885
US-20030055088-A1 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1D CYP11B1 962/4885CYP11B2 1609/4885MAP4K4 2784/4885
US-20070010554-A1 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1C CYP11B1 899/4885CYP11B2 1341/4885MAP4K4 3422/4885

“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.