SCHEMBL5150751

SCHEMBL5150751

COc1ccc(-n2nc(C3CC3)cc2-c2ccc(OCCNC(N)=O)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
PIK3CA P42336 2/20 0.37
PIK3CG P48736 1/20 0.37
MALT1 Q9UDY8 2/20 0.37
KCNJ6 P48051 1/20 0.36
KCNJ3 P48549 1/20 0.36
CACNA1B Q00975 1/20 0.35
MGLL Q99685 1/20 0.35
PTGS2 P35354 2/20 0.35
GSK3B P49841 1/20 0.35
F10 P00742 1/20 0.35
P2RX7 Q99572 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
ROCK2 O75116 1/20 0.35
CHRNA7 P36544 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL5148898 0.92 FABP4 (0.41) FABP3FABP4PIK3CAPIK3CGKCNJ6
SCHEMBL5152488 0.90 FABP3 (0.45) FABP3FABP4MALT1KCNJ6KCNJ3
SCHEMBL5147693 0.88 MALT1 (0.41) FABP3FABP4PIK3CAPIK3CGMALT1
SCHEMBL6208556 0.88 FABP3 (0.40) FABP3FABP4PIK3CAKCNJ6KCNJ3
SCHEMBL5148825 0.86 MALT1 (0.43) FABP3FABP4PIK3CAPIK3CGMALT1
SCHEMBL5148876 0.85 PTGS2 (0.37) FABP3FABP4MALT1CACNA1BPTGS2
SCHEMBL5148807 0.85 BCL2 (0.42) FABP3FABP4PIK3CAPIK3CGMALT1
SCHEMBL5152133 0.85 PTGS2 (0.39) FABP3FABP4PIK3CAPIK3CGMALT1
Hydrochloric Acid SCHEMBL5148903 0.85 CACNA1B (0.39) FABP3FABP4CACNA1BPTGS2
SCHEMBL14504712 0.84 PTGS2 (0.39) FABP3FABP4MALT1PTGS2

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 FABP3 3873/4885FABP4 3914/4885PIK3CA 2656/4885

“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.