SCHEMBL13701699

SCHEMBL13701699

CC(C)(C)NC(=O)c1cncc(-c2cccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.55
OPRM1 P35372 1/20 0.55
KCNH2 Q12809 1/20 0.55
DYRK1A Q13627 1/20 0.55
MKNK1 Q9BUB5 4/20 0.51
MKNK2 Q9HBH9 4/20 0.51
EGLN1 Q9GZT9 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
KMO O15229 1/20 0.50
RIPK1 Q13546 1/20 0.47
ABCB1 P08183 1/20 0.46
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
KAT6A Q92794 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL13611934 0.89 KMO (0.61) DYRK1AMKNK1MKNK2EGLN1P4HTM
SCHEMBL13701678 0.88 KAT6A (0.56) MKNK1MKNK2KAT6A
SCHEMBL12251075 0.85 MKNK1 (0.70) DYRK1AMKNK1MKNK2EGLN1P4HTM
SCHEMBL2732281 0.83 HDAC1 (0.62) CYP11B1CYP11B2HDAC1HDAC6SMN1; SMN2
SCHEMBL31268672 0.83 HDAC1 (0.62) CYP11B1CYP11B2HDAC1HDAC6SMN1; SMN2
SCHEMBL13701655 0.82 ABL1 (0.50) ABL1MKNK1MKNK2KAT6ACYP1A2
SCHEMBL18496661 0.82 DYRK1A (0.52) DYRK1AMKNK1MKNK2EGLN1P4HTM
SCHEMBL13701652 0.81 EGFR (0.54) DYRK1AMKNK1MKNK2EGLN1P4HTM
SCHEMBL13702258 0.80 GAA (0.52) ABL1OPRM1KCNH2MKNK1MKNK2
SCHEMBL13188758 0.79 HDAC1 (0.63) ABL1OPRM1KCNH2MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX ABL1 4720/4885OPRM1 3613/4885KCNH2 2833/4885

“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.