SCHEMBL21721730

SCHEMBL21721730

CCn1nc(Cl)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.35
CNR2 P34972 11/20 0.35
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL23403195 0.80 CNR1 (0.37) CNR1CNR2ADORA2AADORA2B
SCHEMBL13192102 0.78 CNR1 (0.35) CNR1CNR2ADORA2AADORA2B
SCHEMBL9607545 0.78 GAA (0.42) CNR1CNR2ADORA2AADORA2B
SCHEMBL15069883 0.78 GRN (0.38) CNR1CNR2ADORA2AADORA2BNPC1
SCHEMBL15069887 0.76 CNR1 (0.34) CNR1CNR2ADORA2AADORA2B
SCHEMBL21720383 0.76 CNR1 (0.34) CNR1CNR2ADORA2AADORA2B
SCHEMBL21721455 0.76 CNR1 (0.34) CNR1CNR2ADORA2AADORA2B
SCHEMBL24007032 0.76 CNR1 (0.34) CNR1CNR2ADORA2AADORA2B
SCHEMBL21721731 0.73 CNR1 (0.34) CNR1CNR2ADORA2AADORA2B
SCHEMBL12859150 0.73 LMNA (0.39) CNR1CNR2

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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 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 (2 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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK CNR1 1509/4885CNR2 2191/4885ADORA2A 858/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CNR1 1509/4885CNR2 2191/4885ADORA2A 858/4885

“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.