SCHEMBL3129156

SCHEMBL3129156

O=C(O)c1ccnc(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.57
XDH P47989 1/20 0.53
FPR2 P25090 6/20 0.52
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
CHEK2 O96017 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL28988552 0.91 XDH (0.56) SCN9AXDHKMT2AMEN1MAPT
SCHEMBL3131856 0.87 SCN9A (0.62) SCN9AFPR2
SCHEMBL3140118 0.85 SCN9A (0.57) SCN9AFPR2KMT2AMEN1MAPT
SCHEMBL15281421 0.81 SCN9A (0.66) SCN9AFPR2KMT2AMEN1MAPT
SCHEMBL15281464 0.81 SCN9A (0.66) SCN9AFPR2KMT2AMEN1MAPT
SCHEMBL16451495 0.80 SCN9A (0.55) SCN9AFPR2KMT2AMEN1MAPT
SCHEMBL16451492 0.80 SCN9A (0.55) SCN9AFPR2KMT2AMEN1MAPT
SCHEMBL27566728 0.80 SCN9A (0.54) SCN9AFPR2KMT2AMEN1MAPT
SCHEMBL29421484 0.79 SCN9A (0.56) SCN9AXDHFPR2CHEK2
SCHEMBL3138733 0.79 SCN9A (0.55) SCN9AXDHFPR2

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 8 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 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
CN-1422254-A Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof EURO CELTIQUE SA (LU) 2003-06-04 CN 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 SCN9A 1288/4885XDH 50/4885FPR2 813/4885
US-20040192691-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, KYNU, CACNA1C SCN9A 1388/4885XDH 73/4885FPR2 656/4885
US-20020040025-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, KYNU, CACNA1C SCN9A 1388/4885XDH 73/4885FPR2 656/4885

“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.