SCHEMBL20031404

SCHEMBL20031404

Cc1ncc(-c2ncn(C)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.39
PCSK9 Q8NBP7 1/20 0.36
AOC3 Q16853 2/20 0.36
USP1 O94782 3/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
LRRK2 Q5S007 1/20 0.31
DRD2 P14416 1/20 0.31
PRKDC P78527 1/20 0.31
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL12404673 0.79 PPARA (0.46) PPARAPCSK9AOC3USP1DRD2
SCHEMBL18123532 0.79 AOC3 (0.40) PPARAPCSK9AOC3USP1
SCHEMBL20969942 0.77 PPARA (0.40) PPARAPCSK9AOC3GABRA1GABRG2
SCHEMBL22230009 0.75 PCSK9 (0.42) PPARAPCSK9AOC3USP1DRD2
SCHEMBL822577 0.72 NPC1 (0.47) PPARAAOC3USP1DRD2
SCHEMBL20031407 0.72 PPARA (0.36) PPARAAOC3USP1
SCHEMBL26951887 0.72 GRM5 (0.35)
SCHEMBL21233202 0.71 CYP11B2 (0.40) PPARA
SCHEMBL21408699 0.71 PPARA (0.46) PPARAPCSK9AOC3USP1DRD2
SCHEMBL2276295 0.69 AOC3 (0.48) PPARAPCSK9AOC3GPR119

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-20180093951-A1 PESTICIDALLY ACTIVE CARBAMOYLATED AND THIOCARBAMOYLATED OXIME DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-05 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-20180093951-A1 PESTICIDALLY ACTIVE CARBAMOYLATED AND THIOCARBAMOYLATED OXIME DERIVATIVES ACHE, DDT, BCHE PPARA 1409/4885PCSK9 4439/4885AOC3 506/4885

“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.