SCHEMBL13701655

SCHEMBL13701655

CC(C)(C)NC(=O)c1cncc(-c2cncnc2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.46
XDH P47989 5/20 0.43
SCN10A Q9Y5Y9 3/20 0.41
HPGDS O60760 1/20 0.41
KAT6A Q92794 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39

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
SCHEMBL13701678 0.84 KAT6A (0.56) IRAK4XDHSCN10AKAT6AMKNK1
SCHEMBL13701643 0.83 KAT6A (0.54) ABL1KAT6ACYP2C19
SCHEMBL31243020 0.83 SCN10A (0.47) ABL1IRAK4XDHSCN10AHPGDS
SCHEMBL13701699 0.82 ABL1 (0.55) ABL1KAT6ACYP1A2CYP3A4CYP2C19
SCHEMBL18496602 0.79 SCN10A (0.46) SCN10A
SCHEMBL2735676 0.78 HCAR2 (0.56) HPGDS
SCHEMBL2370058 0.77 HPGDS (0.41) IRAK4HPGDSCYP1A2CYP3A4CYP2C19
SCHEMBL10288898 0.77 KDM4E (0.62) CYP1A2CYP3A4CYP2C19
SCHEMBL17665892 0.75 IRAK4 (0.61) IRAK4
SCHEMBL13701661 0.75 ABL1 (0.56) ABL1SCN10AHPGDSKAT6A

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 2 patents. 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
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 4720/4885IRAK4 4581/4885XDH 84/4885

“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.