SCHEMBL5013603

SCHEMBL5013603

CC(N)c1cc(NC(=O)OC(C)(C)C)ccn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
CYP17A1 P05093 4/20 0.42
ATR Q13535 1/20 0.42
SMARCA2 P51531 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
NAMPT P43490 1/20 0.41
SREBF2 Q12772 1/20 0.39
MAPKAPK2 P49137 2/20 0.38
PSMB8 P28062 1/20 0.38
ACSS2 Q9NR19 1/20 0.38
SYK P43405 1/20 0.38
METAP1 P53582 1/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38

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
SCHEMBL18820155 0.85 SMARCA2 (0.59) MAP4K4CYP17A1ATRSMARCA2CA12
SCHEMBL18862939 0.84 CYP17A1 (0.42) MAP4K4CYP17A1ATRSMARCA2CA12
SCHEMBL22432054 0.82 SMARCA2 (0.43) MAP4K4CYP17A1ATRSMARCA2CA12
SCHEMBL9376173 0.80 MAP4K4 (0.49) MAP4K4CYP17A1ATRCA12CA1
SCHEMBL15972202 0.79 AR (0.45) MAP4K4CYP17A1ATRCA12CA1
SCHEMBL16055308 0.79 SMARCA2 (0.57) MAP4K4CYP17A1ATRSMARCA2CA12
SCHEMBL1501665 0.79 SMARCA2 (0.57) MAP4K4CYP17A1ATRSMARCA2CA12
SCHEMBL30293080 0.79 SMARCA2 (0.57) MAP4K4CYP17A1ATRSMARCA2CA12
SCHEMBL2596875 0.77 AR (0.56) MAP4K4CYP17A1ATRSMARCA2CA12
SCHEMBL29383469 0.77 AR (0.56) MAP4K4CYP17A1ATRSMARCA2CA12

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-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL MAP4K4 613/4885CYP17A1 685/4885ATR 2137/4885

“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.