SCHEMBL20031407

SCHEMBL20031407

Cc1cnc(-c2ncn(C)n2)nc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.36
APLNR P35414 1/20 0.32
MAPK1 P28482 1/20 0.32
AOC3 Q16853 2/20 0.31
TYK2 P29597 1/20 0.31
HCRTR1 O43613 4/20 0.30
HCRTR2 O43614 4/20 0.30
USP1 O94782 1/20 0.30
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL20969942 0.83 PPARA (0.40) PPARAAOC3
SCHEMBL20031135 0.76 CCR1 (0.54) PPARAAOC3TYK2CCR1CCR5
SCHEMBL10021905 0.75 CCR1 (0.45) APLNRMAPK1CCR1CCR5CCR8
SCHEMBL20031404 0.72 PPARA (0.39) PPARAAOC3USP1
SCHEMBL11996645 0.72 AOC3 (0.46) PPARAAOC3
SCHEMBL21233202 0.72 CYP11B2 (0.40) PPARAMAPK1HCRTR1HCRTR2
SCHEMBL12404672 0.68 SYK (0.33) PPARA
SCHEMBL12404673 0.68 PPARA (0.46) PPARAAOC3USP1HDAC6
SCHEMBL23863627 0.67 HCRTR1 (0.39) PPARATYK2HCRTR1HCRTR2
SCHEMBL822577 0.65 NPC1 (0.47) PPARAMAPK1AOC3USP1HDAC6

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 1409/4885APLNR 4659/4885MAPK1 2247/4885

“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.