SCHEMBL5152154

SCHEMBL5152154

COc1ccc(-n2ncc(C)c2-c2ccc(OCCNC(N)=O)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.38
SMO Q99835 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ROCK2 O75116 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
NPC1 O15118 1/20 0.36
PIK3CA P42336 3/20 0.36
PIK3CG P48736 1/20 0.36
P2RX7 Q99572 1/20 0.36
MAPK1 P28482 1/20 0.36
PTGS2 P35354 1/20 0.35
HDAC1 Q13547 2/20 0.35
MAPKAPK2 P49137 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 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
SCHEMBL5150556 0.92 OXTR (0.39) OXTRSMOMTNR1AMTNR1BHCAR2
SCHEMBL5148837 0.90 MTNR1A (0.46) MTNR1AMTNR1BHCAR2NPC1PTGS2
Hydrochloric Acid SCHEMBL5150814 0.83 PTGS2 (0.37) OXTRPIK3CAPTGS2HDAC1
SCHEMBL5148835 0.82 MTNR1A (0.48) MTNR1AMTNR1BHCAR2NPC1PTGS2
SCHEMBL5147693 0.82 MALT1 (0.41) SMOMTNR1AMTNR1BMKNK1MKNK2
SCHEMBL5148825 0.79 MALT1 (0.43) PIK3CAPIK3CGP2RX7PTGS2
SCHEMBL5148807 0.79 BCL2 (0.42) SMOPIK3CAPIK3CGPTGS2
SCHEMBL5152133 0.79 PTGS2 (0.39) SMOMTNR1AMTNR1BHCAR2PIK3CA
SCHEMBL6691333 0.78 L3MBTL1 (0.43) OXTRSMOMTNR1AMTNR1BPIK3CA
SCHEMBL14504712 0.78 PTGS2 (0.39) PTGS2

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 OXTR 567/4885SMO 3090/4885MTNR1A 884/4885

“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.