SCHEMBL3135351

SCHEMBL3135351

NC(=O)c1nc(-c2ccc(Oc3ccccc3)cc2)c(N)nc1N

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 3/20 0.55
▸ SCN9A Q15858 2/20 0.54
▸ TNK2 Q07912 5/20 0.52
▸ PARP10 Q53GL7 1/20 0.49
▸ BTK Q06187 3/20 0.47
▸ DHODH Q02127 1/20 0.45
▸ CHEK2 O96017 2/20 0.44
▸ SCN4A P35499 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 0.71 SCN9A (0.54) SCN9ATNK2PARP10BTKDHODH
SCHEMBL3134574 0.71 SCN9A (0.51) SCN9APARP10BTK
SCHEMBL30413191 0.71 CSNK1A1 (0.71) SCN9ATNK2BTK
SCHEMBL977065 0.71 CSNK1A1 (0.71) SCN9ATNK2BTK
SCHEMBL3126744 0.71 SCN9A (0.59) SCN9ABTKSCN4A
SCHEMBL14504150 0.71 PLAU (1.00) PLAU
SCHEMBL16197120 0.70 SCN9A (0.50) SCN9APARP10BTKSCN4A
SCHEMBL25649417 0.70 BTK (0.55) SCN9ATNK2PARP10BTKDHODH
SCHEMBL16597863 0.70 BTK (0.55) SCN9ATNK2PARP10BTKDHODH
SCHEMBL1289867 0.70 SCN9A (1.00) SCN9APARP10BTKDHODH

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-20050043305-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof EURO-CELTIQUE S.A. (LU) 2005-02-24 — — 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
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 PLAU 849/4885SCN9A 1288/4885TNK2 3097/4885
US-20040192691-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, KYNU, CACNA1C PLAU 525/4885SCN9A 1388/4885TNK2 2788/4885
US-20020040025-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, KYNU, CACNA1C PLAU 525/4885SCN9A 1388/4885TNK2 2788/4885

“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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