SCHEMBL1758360

SCHEMBL1758360

NC(=O)c1ccnc(-c2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.57
PARP15 Q460N3 3/20 0.55
PARP14 Q460N5 3/20 0.55
TNKS O95271 1/20 0.55
TNKS2 Q9H2K2 1/20 0.55
PARP2 Q9UGN5 1/20 0.55
MCL1 Q07820 2/20 0.52
CHEK2 O96017 4/20 0.52
TNK2 Q07912 2/20 0.51
SCN4A P35499 1/20 0.50
KDM4B O94953 1/20 0.49
KDM5C P41229 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
MAP4K4 O95819 1/20 0.48
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
PARP16 Q8N5Y8 1/20 0.46
PARP11 Q9NR21 1/20 0.46
PARP4 Q9UKK3 1/20 0.46
SCN9A Q15858 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
SCHEMBL1758373 0.87 SCN9A (0.57) PARP10PARP15PARP14TNKSTNKS2
SCHEMBL1758188 0.86 MAP4K4 (0.57) CHEK2KDM4BKDM5CKDM5BMAP4K4
SCHEMBL946431 0.86 ASIC3 (0.55) CHEK2KDM4BKDM5CKDM5BMAP4K4
SCHEMBL28509907 0.83 KDM4E (0.61) MCL1KDM5CKDM5BALDH1A1
SCHEMBL1758329 0.82 KDM1A (0.55) PARP10PARP2CHEK2KDM4BKDM5C
SCHEMBL1758347 0.80 PARP10 (0.59) PARP10CHEK2KDM4BKDM5CKDM5B
SCHEMBL944345 0.79 MAPK8 (0.58) PARP10PARP15PARP14TNKSTNKS2
SCHEMBL1758489 0.79 SCN10A (0.62) CHEK2KDM4BKDM5CKDM5BMAP4K4
SCHEMBL29932888 0.79 MAP4K4 (0.55) CHEK2KDM4BKDM5CKDM5BMAP4K4
SCHEMBL28907344 0.79 KDM4B (0.56) CHEK2KDM4BKDM5CKDM5BMAP4K4

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-7105549-B2 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. (LU) 2006-09-12 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-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-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 PARP10 2411/4885PARP15 3463/4885PARP14 3178/4885
US-20100048626-A1 Aryl Substituted Pyridines and the Use Thereof CACNA1S, CACNA1E, CACNA1C PARP10 2285/4885PARP15 3336/4885PARP14 2838/4885
US-20030055088-A1 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1D PARP10 3325/4885PARP15 3964/4885PARP14 3029/4885
US-20070010554-A1 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1C PARP10 2411/4885PARP15 3463/4885PARP14 3178/4885

“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.