SCHEMBL3133736

SCHEMBL3133736

COc1ccc(Oc2ccc(-c3ccnc(C(N)=O)n3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ PARP10 Q53GL7 1/20 0.50
▸ PARP1 P09874 3/20 0.49
▸ KMO O15229 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MCL1 Q07820 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ IKBKB O14920 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CHEK2 O96017 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
SCHEMBL3125837 0.86 SCN9A (0.55) MAPTMEN1KMT2A
SCHEMBL3125803 0.83 SCN9A (0.54) KMOCHEK2
SCHEMBL3133778 0.82 SCN4A (0.55) MAPTMEN1KMT2ANPC1KMO
SCHEMBL25002894 0.81 KMT2A (0.56) MAPTMEN1KMT2ANPC1KMO
SCHEMBL25003146 0.81 ALDH1A1 (0.54) MAPTMEN1KMT2ANPC1KMO
SCHEMBL28048792 0.79 MEN1 (0.53) MAPTMEN1KMT2ANPC1KMO
SCHEMBL3129126 0.76 SCN4A (0.57) MAPTMEN1KMT2AKMOIKBKB
SCHEMBL27566662 0.76 NPC1 (0.51) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL3183738 0.76 MAPK8 (0.55) MEN1KMT2APARP1KMO
SCHEMBL3454018 0.75 KMO (0.51) MEN1KMT2AKMOPOLB

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 MAPT 585/4885MEN1 4858/4885KMT2A 3260/4885
US-20040192691-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, KYNU, CACNA1C MAPT 326/4885MEN1 4858/4885KMT2A 3625/4885
US-20020040025-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, KYNU, CACNA1C MAPT 326/4885MEN1 4858/4885KMT2A 3625/4885

“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.

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