SCHEMBL20031405

SCHEMBL20031405

Cc1ccc(-c2ncn(C)n2)nn1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.36
TYK2 P29597 2/20 0.34
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
AOC3 Q16853 2/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL20031135 0.74 CCR1 (0.54) PPARATYK2AOC3
SCHEMBL20969942 0.72 PPARA (0.40) PPARAGABRG2GABRB3GABRA5AOC3
SCHEMBL12404673 0.70 PPARA (0.46) PPARAAOC3
SCHEMBL31503961 0.70 APLNR (0.44)
SCHEMBL13052072 0.70 APLNR (0.44)
SCHEMBL12131263 0.68 KDM4E (0.52) PPARA
SCHEMBL16341540 0.67 ALDH1A1 (0.47)
SCHEMBL24054376 0.66 PPARA (0.36) PPARAAOC3HCRTR1HCRTR2
SCHEMBL22053003 0.64 PPARA (0.40) PPARATYK2GABRG2GABRB3GABRA5
SCHEMBL822577 0.64 NPC1 (0.47) PPARAAOC3

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 1409/4885TYK2 2081/4885GABRG2 2321/4885

“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.