SCHEMBL1758489

SCHEMBL1758489

NC(=O)c1ccnc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.62
ABL1 P00519 7/20 0.59
BCR P11274 4/20 0.59
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
KDM5B Q9UGL1 2/20 0.55
KDM5A P29375 1/20 0.55
KDM2B Q8NHM5 1/20 0.55
KDM4C Q9H3R0 1/20 0.55
CHEK2 O96017 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
MAP4K4 O95819 1/20 0.47
DYRK1A Q13627 1/20 0.47
SCN9A Q15858 2/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
KDM4B O94953 1/20 0.45
KDM5C P41229 1/20 0.45
AURKA O14965 1/20 0.44

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
SCHEMBL25003825 0.85 SCN10A (0.68) SCN10AABL1BCRKDM4EMAPT
SCHEMBL25002931 0.85 SCN10A (0.67) SCN10AABL1BCRKDM4EMAPT
SCHEMBL1758329 0.81 KDM1A (0.55) ABL1BCRKDM4EMAPTKDM5B
SCHEMBL3718581 0.81 HDAC1 (0.56) ABL1BCRKDM5BKDM2BKDM4C
SCHEMBL29932964 0.81 HDAC1 (0.56) ABL1BCRKDM5BKDM2BKDM4C
SCHEMBL1758373 0.81 SCN9A (0.57) KDM5BCHEK2MAP4K4SCN9AKDM4B
SCHEMBL28856057 0.79 MAP4K4 (0.54) ABL1BCRKDM5BKDM5AKDM4C
SCHEMBL1758347 0.79 PARP10 (0.59) KDM4EMAPTKDM5BKDM5AKDM2B
SCHEMBL1758360 0.79 PARP10 (0.57) KDM5BCHEK2MAP4K4SCN9AKDM4B
SCHEMBL1758365 0.79 ABL1 (0.57) SCN10AABL1BCRKDM4EMAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US claimed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO claimed
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
CN-104334529-A Compounds and compositions for inhibiting the activity of ABL1, ABL2, and BCR-ABL1 NOVARTIS AG 2015-02-04 CN disclosed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
US-7943643-B2 Aryl substituted pyridines and the use thereof PURDUE PHARMA L.P. (US) 2011-05-17 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
US-20100048626-A1 Aryl Substituted Pyridines and the Use Thereof PURDUE PHARMA L.P. 2010-02-25 US disclosed
US-20100048626-A1 Aryl Substituted Pyridines and the Use Thereof PURDUE PHARMA L.P. 2010-02-25 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 SCN10A 94/4885ABL1 3652/4885BCR 4482/4885
US-20100048626-A1 Aryl Substituted Pyridines and the Use Thereof CACNA1S, CACNA1E, CACNA1C SCN10A 128/4885ABL1 3733/4885BCR 4460/4885
US-20030055088-A1 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1D SCN10A 130/4885ABL1 4107/4885BCR 4584/4885
US-20070010554-A1 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1C SCN10A 94/4885ABL1 3652/4885BCR 4482/4885

“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.