SCHEMBL5148751

SCHEMBL5148751

COCOc1ccc(-c2cc(N)nn2-c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.54
PTGS1 P23219 7/20 0.53
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
THPO P40225 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
HIF1A Q16665 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RPA1 P27694 1/20 0.47
CHRNA7 P36544 1/20 0.47
ALOX5 P09917 1/20 0.46
LMNA P02545 1/20 0.46
MALT1 Q9UDY8 1/20 0.45

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
SCHEMBL5147873 0.87 PTGS2 (0.41) PTGS2PTGS1CA1CA2CA9
SCHEMBL5148723 0.84 PTGS2 (0.54) PTGS2PTGS1CA1CA2CA9
SCHEMBL5148745 0.84 MDM2 (0.58) PTGS2PTGS1CA1CA2CA9
SCHEMBL5152192 0.83 PTGS2 (0.52) PTGS2PTGS1CA1CA2CA9
SCHEMBL7465856 0.82 PTGS2 (0.54) PTGS2PTGS1CA1CA2CA9
SCHEMBL5150669 0.80 CA1 (0.51) PTGS2PTGS1CA1CA2CA9
SCHEMBL5148584 0.80 PTGS2 (0.49) PTGS2PTGS1CA1CA2CA9
SCHEMBL5147883 0.80 MALT1 (0.47) PTGS2PTGS1CA1CA2CA9
SCHEMBL31467040 0.74 PTGS2 (0.58) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL5214995 0.74 PTGS2 (0.67) PTGS2PTGS1CA1CA2CA9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567503-B1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS ASTELLAS PHARMA INC (JP) 2011-12-21 EP disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
EP-1567503-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
WO-2004050632-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 WO disclosed
US-20040116475-A1 Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 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 (1 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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 PTGS2 1780/4885PTGS1 1105/4885CA1 4388/4885

“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.