SCHEMBL1758170

SCHEMBL1758170

CCCCc1ccc(-c2cncc(C(N)=O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.57
MKNK2 Q9HBH9 7/20 0.57
RARB P10826 6/20 0.54
CYP11B2 P19099 2/20 0.50
CYP11B1 P15538 1/20 0.50
MAP4K4 O95819 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RARA P10276 1/20 0.48
MAPT P10636 1/20 0.48
MTOR P42345 1/20 0.48
KMT2A Q03164 1/20 0.48
DGAT1 O75907 1/20 0.47
CTRC Q99895 1/20 0.45
MPL P40238 1/20 0.45

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
SCHEMBL30175800 0.87 MKNK1 (0.58) MKNK1MKNK2RARBCYP11B2CYP11B1
SCHEMBL15750344 0.82 RARB (0.72) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL1758341 0.80 MKNK1 (0.60) MKNK1MKNK2CYP11B2CYP11B1MAP4K4
SCHEMBL11609662 0.78 ALDH1A1 (0.60) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL2530451 0.78 GPR84 (0.44) RARBCYP11B2CYP11B1MEN1ALDH1A1
SCHEMBL11561799 0.78 RARB (0.57) MKNK1MKNK2RARBMEN1ALDH1A1
SCHEMBL12647206 0.77 MKNK1 (0.69) MKNK1MKNK2CYP11B2CYP11B1MAP4K4
SCHEMBL2241887 0.77 RARB (0.73) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL607614 0.77 RARB (0.62) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL6754398 0.76 MKNK1 (0.67) MKNK1MKNK2CYP11B2CYP11B1MAP4K4

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-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
US-20030055088-A1 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. 2003-03-20 US 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 4569/4885RARB 2397/4885
US-20100048626-A1 Aryl Substituted Pyridines and the Use Thereof CACNA1S, CACNA1E, CACNA1C MKNK1 4532/4885MKNK2 4591/4885RARB 2303/4885
US-20030055088-A1 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1D MKNK1 4334/4885MKNK2 4509/4885RARB 2026/4885
US-20070010554-A1 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1C MKNK1 4472/4885MKNK2 4569/4885RARB 2397/4885

“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.