SCHEMBL3129164

SCHEMBL3129164

N#Cc1c(Cl)cccc1Oc1ccc(-c2ccnc(C(N)=O)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.48
SCN9A Q15858 12/20 0.44
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
IKBKB O14920 2/20 0.43
HSD11B1 P28845 1/20 0.40
KMO O15229 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
SCHEMBL3131607 0.78 SCN9A (0.59) SCN9AMAPTIKBKBKMO
SCHEMBL1385399 0.76 SCN4A (0.59) TLR8SCN9ABCL2L1MCL1KDM4E
SCHEMBL12780756 0.75 TLR8 (0.67) TLR8BCL2L1MCL1KDM4ESMN1; SMN2
SCHEMBL3125837 0.75 SCN9A (0.55) SCN9AMAPT
SCHEMBL3135653 0.73 IKBKB (0.55) SCN9AKDM4EMAPTIKBKB
SCHEMBL3131946 0.73 SCN9A (0.59) SCN9AMAPTKMO
SCHEMBL3129126 0.73 SCN4A (0.57) SCN9AMAPTIKBKBKMO
SCHEMBL14264193 0.73 TLR8 (0.55) TLR8BCL2L1MCL1KDM4ESMN1; SMN2
SCHEMBL3133736 0.72 MAPT (0.52) MCL1SMN1; SMN2MAPTIKBKBKMO
SCHEMBL14264190 0.72 MAPT (0.55) TLR8BCL2L1MCL1MAPTHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265866-B1 ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-07-21 EP claimed
US-6867210-B2 Aryl substituted pyrimidines EURO-CELTIQUE S.A. (LU) 2005-03-15 US claimed
US-20040192691-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof EURO-CELTIQUE S.A. 2004-09-30 US claimed
EP-1265866-A2 ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF Euro-Celtique S.A. (LU) 2002-12-18 EP claimed
US-20020040025-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof PURDUE PHARMA L.P. 2002-04-04 US claimed
WO-2001068612-A2 ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2001-09-20 WO claimed
EP-1265866-B1 ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-07-21 EP disclosed
US-6867210-B2 Aryl substituted pyrimidines EURO-CELTIQUE S.A. (LU) 2005-03-15 US disclosed
US-20050043305-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof EURO-CELTIQUE S.A. (LU) 2005-02-24 US disclosed
US-20040192691-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof EURO-CELTIQUE S.A. 2004-09-30 US disclosed
EP-1265866-A2 ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF Euro-Celtique S.A. (LU) 2002-12-18 EP disclosed
US-20020040025-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof PURDUE PHARMA L.P. 2002-04-04 US disclosed
WO-2001068612-A2 ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2001-09-20 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 (3 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-20050043305-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, CACNA1C, KYNU TLR8 3263/4885SCN9A 1288/4885BCL2L1 3207/4885
US-20040192691-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, KYNU, CACNA1C TLR8 3584/4885SCN9A 1388/4885BCL2L1 2422/4885
US-20020040025-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, KYNU, CACNA1C TLR8 3584/4885SCN9A 1388/4885BCL2L1 2422/4885

“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.