SCHEMBL20320448

SCHEMBL20320448

Cc1nc(C2CCC2)nn1C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 4/20 0.49
CHRM3 P20309 5/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
PDE10A Q9Y233 3/20 0.33
AOC3 Q16853 2/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL20320451 0.91 TDP2 (0.50) TDP2CHRM3PDE4APDE4BPDE4C
SCHEMBL4470815 0.70 TDP2 (0.46) TDP2CHRM3PDE4APDE4BPDE4C
SCHEMBL31546906 0.68 TDP2 (0.45) TDP2CHRM3PDE4APDE4BPDE4C
SCHEMBL1313137 0.67 SIGMAR1 (0.48) TDP2AOC3SIGMAR1
SCHEMBL18685287 0.67 TDP2 (0.36) TDP2
SCHEMBL18685342 0.67 TDP2 (0.36) TDP2
SCHEMBL18685454 0.67 TDP2 (0.36) TDP2
SCHEMBL3473714 0.66 TDP2 (1.00) TDP2
SCHEMBL12693228 0.65 PDE10A (0.36) TDP2CHRM3PDE4APDE4BPDE4C
SCHEMBL21888967 0.63 AOC3 (0.41) TDP2CHRM3PDE4APDE4BPDE4C

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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS TDP2 3241/4885CHRM3 2466/4885PDE4A 1904/4885

“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.