SCHEMBL3128992

SCHEMBL3128992

Cn1ccc(-c2nccc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)n1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.74
MAPT P10636 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
CYP19A1 P11511 1/20 0.46
SCN9A Q15858 3/20 0.41
ALDH1A1 P00352 2/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
KEAP1 Q14145 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
SCHEMBL13978585 0.85 SCN4A (1.00) SCN4AMAPTL3MBTL1MEN1KMT2A
SCHEMBL3125883 0.77 MAPT (0.58) SCN4AMAPTL3MBTL1MEN1KMT2A
SCHEMBL3138342 0.77 MAPT (0.52) SCN4AMAPTL3MBTL1MEN1KMT2A
SCHEMBL989300 0.75 SCN4A (0.79) SCN4AMEN1KMT2ANPC1RAB9A
SCHEMBL7578601 0.75 MAPT (0.48) SCN4AMAPTL3MBTL1MEN1KMT2A
SCHEMBL3138716 0.74 MAPT (0.56) SCN4AMAPTL3MBTL1MEN1KMT2A
SCHEMBL3135386 0.74 MAPT (0.52) SCN4AMAPTL3MBTL1MEN1KMT2A
SCHEMBL3143191 0.74 MAPT (0.52) SCN4AMAPTL3MBTL1MEN1KMT2A
SCHEMBL28251671 0.74 NPC1 (0.74) MAPTL3MBTL1MEN1KMT2AGAA
SCHEMBL30510147 0.72 SCN4A (0.59) SCN4AMAPTL3MBTL1MEN1KMT2A

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
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
CN-1422254-A Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof EURO CELTIQUE SA (LU) 2003-06-04 CN 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
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 SCN4A 88/4885MAPT 585/4885L3MBTL1 178/4885
US-20040192691-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, KYNU, CACNA1C SCN4A 106/4885MAPT 326/4885L3MBTL1 170/4885
US-20020040025-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, KYNU, CACNA1C SCN4A 106/4885MAPT 326/4885L3MBTL1 170/4885

“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.