SCHEMBL5152133

SCHEMBL5152133

COc1ccc(-n2nc(C(C)C)cc2-c2ccc(OCCNC(N)=O)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
MDM2 Q00987 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2 P10415 2/20 0.39
MALT1 Q9UDY8 3/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
SMO Q99835 1/20 0.37
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
JAK3 P52333 2/20 0.37
P2RX7 Q99572 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL5418007 0.93 PTGS2 (0.48) PTGS2PTGS1MALT1FABP3FABP4
SCHEMBL5148880 0.92 MDM2 (0.41) PTGS2PTGS1MDM2MCL1BCL2
SCHEMBL5147693 0.91 MALT1 (0.41) PTGS2PTGS1MDM2MCL1BCL2
SCHEMBL5152241 0.90 PTGS1 (0.49) PTGS2PTGS1MDM2MCL1BCL2
SCHEMBL5152083 0.89 MDM2 (0.39) MDM2MCL1BCL2MALT1FABP3
SCHEMBL14504716 0.89 MDM2 (0.42) PTGS2PTGS1MDM2MCL1BCL2
SCHEMBL5148825 0.88 MALT1 (0.43) PTGS2MALT1FABP3FABP4PIK3CA
SCHEMBL5147606 0.88 CA12 (0.43) MDM2MCL1BCL2FABP3FABP4
SCHEMBL5148807 0.87 BCL2 (0.42) PTGS2PTGS1MDM2MCL1BCL2
SCHEMBL14504712 0.86 PTGS2 (0.39) PTGS2MALT1FABP3FABP4

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 4 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
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 1105/4885MDM2 1492/4885

“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.