SCHEMBL3138716

SCHEMBL3138716

CN(C)c1nccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 1/20 0.48
SCN4A P35499 3/20 0.48
DYRK1A Q13627 2/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
SCN9A Q15858 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
PDPK1 O15530 1/20 0.43
IKBKB O14920 1/20 0.42

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
SCHEMBL3125883 0.81 MAPT (0.58) MAPTL3MBTL1MEN1KMT2AGAA
SCHEMBL3138407 0.78 MAPT (0.52) MAPTL3MBTL1MEN1KMT2AGAA
SCHEMBL3140335 0.76 MAPT (0.60) MAPTL3MBTL1MEN1KMT2AGAA
SCHEMBL3135636 0.75 SCN9A (0.54) MAPTL3MBTL1MEN1KMT2AGAA
SCHEMBL3129040 0.75 MAPT (0.52) MAPTL3MBTL1MEN1KMT2AGAA
SCHEMBL3129059 0.75 MAPT (0.52) MAPTL3MBTL1MEN1KMT2AGAA
SCHEMBL3133612 0.75 MAPT (0.55) MAPTL3MBTL1MEN1KMT2AGAA
SCHEMBL3133617 0.75 MAPT (0.55) MAPTL3MBTL1MEN1KMT2AGAA
SCHEMBL3128992 0.74 SCN4A (0.74) MAPTL3MBTL1MEN1KMT2AGAA
Dimethylformamide SCHEMBL27566652 0.74 KMO (0.50) MAPTL3MBTL1MEN1KMT2ASCN4A

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 MAPT 585/4885L3MBTL1 178/4885MEN1 4858/4885
US-20040192691-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, KYNU, CACNA1C MAPT 326/4885L3MBTL1 170/4885MEN1 4858/4885
US-20020040025-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, KYNU, CACNA1C MAPT 326/4885L3MBTL1 170/4885MEN1 4858/4885

“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.