SCHEMBL22796154

SCHEMBL22796154

CCn1nc(C)nc1SC

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
PDE10A Q9Y233 1/20 0.34
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL11611165 0.78 SMN1; SMN2 (0.38) SMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL13180564 0.72
SCHEMBL10274503 0.70
SCHEMBL23264381 0.68
SCHEMBL21960147 0.68 ADORA2A (0.33) ADORA2AADORA2B
SCHEMBL4785502 0.67 ADORA2A (0.32) ADORA2AADORA2B
SCHEMBL22795786 0.65 PDE10A (0.34) PDE10A
SCHEMBL22795785 0.65 L3MBTL1 (0.34) PDE10A
SCHEMBL21888984 0.64 AOC3 (0.36) ADORA2AADORA2B
SCHEMBL9371383 0.63 PDE10A (0.40) SMN1; SMN2PDE10ALMNAALDH1A1

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-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

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 SMN1; SMN2 4626/4885PDE10A 1546/4885LMNA 3862/4885

“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.