SCHEMBL4026247

SCHEMBL4026247

CCOc1nc(-c2ccc(OC)cc2)n(-c2ccc(OC)cc2)n1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.76
PTGS2 P35354 4/20 0.76
MALT1 Q9UDY8 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
CACNA2D1 P54289 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
PDE4D Q08499 2/20 0.44
PDE4B Q07343 1/20 0.43

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
SCHEMBL4243872 0.89 PTGS2 (0.61) PTGS1PTGS2MALT1
SCHEMBL4032188 0.89 PTGS1 (0.72) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL3355973 0.88 PTGS2 (0.60) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL4245103 0.88 PTGS2 (0.60) PTGS1PTGS2
SCHEMBL4031131 0.87 PTGS2 (0.81) PTGS1PTGS2MALT1L3MBTL1LMNA
SCHEMBL1193845 0.86 PTGS2 (1.00) PTGS1PTGS2MALT1L3MBTL1NPC1
SCHEMBL6132361 0.84 PTGS2 (0.68) PTGS1PTGS2MALT1L3MBTL1LMNA
SCHEMBL6132316 0.84 PTGS2 (0.68) PTGS1PTGS2MALT1L3MBTL1LMNA
SCHEMBL6132289 0.84 PTGS2 (1.00) PTGS1PTGS2MALT1L3MBTL1TSHR
SCHEMBL3358779 0.83 PTGS1 (0.64) PTGS1PTGS2MALT1L3MBTL1

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
US-20030191155-A1 Triazole derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 US claimed
US-20130137739-A1 SOLID DISPERSION COMPRISING TRIAZOLE COMPOUND ASTELLAS PHARMA, INC. 2013-05-30 US disclosed
EP-2581084-A1 SOLID DISPERSION COMPRISING TRIAZOLE COMPOUND Astellas Pharma Inc. (JP) 2013-04-17 EP disclosed
WO-2012170839-A2 TREATMENT OF NEUROINFLAMMATORY DISEASE WITH SELECTIVE COX1 INHIBITORS CARDEUS PHARMACEUTICALS, INC. (US) 2012-12-13 WO disclosed
EP-1442026-B9 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS ASTELLAS PHARMA INC (JP) 2009-11-18 EP disclosed
EP-1442026-B1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed
US-6927230-B2 Triazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-09 US disclosed
US-20030191155-A1 Triazole derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 US 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-20030191155-A1 Triazole derivatives CBR1, CBR3, CYP1B1 PTGS1 1504/4885PTGS2 2680/4885MALT1 71/4885
US-20130137739-A1 SOLID DISPERSION COMPRISING TRIAZOLE COMPOUND CYP3A4, CYP3A43, CYP3A7 PTGS1 2201/4885PTGS2 3116/4885MALT1 840/4885

“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.