SCHEMBL31739732

SCHEMBL31739732

O=C1NC(=S)C2(CCCNC2)N1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 17/20 0.36
PDE7B Q9NP56 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL3332022 0.81 PDE7A (0.38) PDE7APDE7B
SCHEMBL24535197 0.81 PDE7A (0.38) PDE7APDE7B
SCHEMBL8816271 0.76 NEK2 (0.36) PDE7A
SCHEMBL29680096 0.76 PDE7A (0.39) PDE7APDE7B
Trifluoroacetic Acid SCHEMBL30836075 0.69 CRBN (0.36) PDE7A
SCHEMBL23651601 0.69 PDE7A (0.38) PDE7APDE7B
SCHEMBL2201251 0.68 CRBN (0.38) PDE7A
Hydrochloric Acid SCHEMBL31733116 0.67 CRBN (0.37) PDE7A
Hydrochloric Acid SCHEMBL21292655 0.67 CRBN (0.37) PDE7A
SCHEMBL31739718 0.66 POLB (0.36) PDE7ASIGMAR1

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-20250368649-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2025-12-04 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-20250368649-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS PDE7A 3007/4885PDE7B 2697/4885SIGMAR1 4644/4885

“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.