SCHEMBL1758340

SCHEMBL1758340

NC(=O)c1cncc(-c2ccc(C=S)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 9/20 0.60
MKNK2 Q9HBH9 9/20 0.60
MAP4K4 O95819 3/20 0.53
CYP11B2 P19099 3/20 0.51
CYP11B1 P15538 1/20 0.51
DGAT1 O75907 1/20 0.51
CHEK2 O96017 1/20 0.48
RIPK1 Q13546 1/20 0.40
HDAC1 Q13547 1/20 0.40
XDH P47989 1/20 0.40

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
SCHEMBL1788124 0.86 MKNK1 (0.62) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL6754398 0.81 MKNK1 (0.67) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL1785559 0.80 MKNK1 (0.68) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL12647206 0.79 MKNK1 (0.69) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL27986242 0.79 MKNK1 (0.87) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL2488476 0.78 MKNK1 (0.77) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL30108186 0.78 MKNK1 (0.65) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL30108269 0.75 MKNK1 (0.60) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL1758530 0.75 MAP4K4 (0.83) MKNK1MKNK2MAP4K4CYP11B2CYP11B1
SCHEMBL29870407 0.75 MAP4K4 (0.83) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579367-B2 Aryl substituted pyridines and the use thereof PURDUE PHARMA L.P. (US) 2009-08-25 US claimed
US-20080194627-A9 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. (LU) 2008-08-14 US claimed
US-20070010554-A1 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. (LU) 2007-01-11 US claimed
EP-1432419-A1 ARYL SUBSTITUTED PYRIDINECARBOXAMIDES AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2004-06-30 EP claimed
US-20030055088-A1 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. 2003-03-20 US claimed
WO-2003022276-A1 ARYL SUBSTITUTED PYRIDINECARBOXAMIDES AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2003-03-20 WO claimed
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 MKNK1 4472/4885MKNK2 4569/4885MAP4K4 3422/4885
US-20100048626-A1 Aryl Substituted Pyridines and the Use Thereof CACNA1S, CACNA1E, CACNA1C MKNK1 4532/4885MKNK2 4591/4885MAP4K4 3279/4885
US-20030055088-A1 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1D MKNK1 4334/4885MKNK2 4509/4885MAP4K4 2784/4885
US-20070010554-A1 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1C MKNK1 4472/4885MKNK2 4569/4885MAP4K4 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.