SCHEMBL3134574

SCHEMBL3134574

COc1ccc(C(N)=O)nc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.51
▸ BTK Q06187 2/20 0.47
▸ CTSA P10619 5/20 0.47
▸ MCL1 Q07820 1/20 0.46
▸ ECE1 P42892 3/20 0.46
▸ PTGDR2 Q9Y5Y4 2/20 0.46
▸ PARP10 Q53GL7 1/20 0.45
▸ LCK P06239 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
SCHEMBL3125841 0.85 SCN9A (0.54) SCN9ABTKMCL1PTGDR2PARP10
SCHEMBL3128615 0.78 SCN9A (0.54) SCN9ABTKPARP10
SCHEMBL3126744 0.76 SCN9A (0.59) SCN9ABTKMCL1
SCHEMBL6922186 0.71 SCN9A (0.53) SCN9ABTKPARP10
SCHEMBL3135351 0.71 PLAU (0.55) SCN9ABTKPARP10
SCHEMBL25285978 0.71 CTSA (0.56) CTSAECE1
SCHEMBL25649417 0.70 BTK (0.55) SCN9ABTKPARP10
SCHEMBL30534933 0.69 HTR5A (0.46) CTSA
SCHEMBL10989541 0.69 WHR1 (0.50) PTGDR2
SCHEMBL725893 0.69 OPRM1 (0.62) SCN9APARP10

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 7 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
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 1288/4885BTK 4872/4885CTSA 403/4885
US-20040192691-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, KYNU, CACNA1C SCN9A 1388/4885BTK 4877/4885CTSA 413/4885
US-20020040025-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, KYNU, CACNA1C SCN9A 1388/4885BTK 4877/4885CTSA 413/4885

“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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