SCHEMBL5203715

SCHEMBL5203715

CSc1ccc(-n2nc(C)nc2-c2ccc(Br)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
PTGS2 P35354 8/20 0.41
PTGS1 P23219 4/20 0.39
ALOX5 P09917 1/20 0.39
MAPK10 P53779 1/20 0.39
MALT1 Q9UDY8 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMPD1 P17405 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5201918 0.85 MAPK13 (0.46) LMNAPTGS2PTGS1ALOX5MAPK10
SCHEMBL5202645 0.85 PTGS2 (0.53) LMNAPTGS2PTGS1MAPK10MALT1
SCHEMBL5205307 0.85 SMN1; SMN2 (0.45) LMNAPTGS2MAPK10NPC1RAB9A
SCHEMBL5865600 0.83 PTGS2 (0.43) LMNAPTGS2PTGS1ALOX5MALT1
SCHEMBL6883364 0.78 POLB (0.48) LMNAPTGS2MAPK10NPC1RAB9A
SCHEMBL6885606 0.77 PTGS2 (0.57) PTGS2PTGS1ALOX5
SCHEMBL5203365 0.77 PTGS2 (0.57) PTGS2PTGS1ALOX5
SCHEMBL5205884 0.76 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL4520381 0.73 NR1H2 (0.50) PTGS2PTGS1
SCHEMBL5865601 0.71 PTGS2 (0.44) LMNAPTGS2PTGS1ALOX5NPC1

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-1458706-B1 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CORP (KR) 2007-07-11 EP disclosed
US-7169929-B2 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP. (KR) 2007-01-30 US disclosed
US-7135572-B2 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP (KR) 2006-11-14 US disclosed
US-20060009495-A1 Diary 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP. (KR) 2006-01-12 US disclosed
EP-1458706-A4 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CORP (KR) 2005-06-08 EP disclosed
US-20050075373-A1 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP. (KR) 2005-04-07 US disclosed
EP-1458706-A1 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ Corp. (KR) 2004-09-22 EP disclosed
WO-2003055875-A1 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CORP. (KR) 2003-07-10 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 (2 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-20060009495-A1 Diary 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor PTGS1, PTGS2, PTGES2 LMNA 4806/4885PTGS2 2/4885PTGS1 1/4885
US-20050075373-A1 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor PTGS1, PTGS2, PTGES2 LMNA 4788/4885PTGS2 2/4885PTGS1 1/4885

“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.