SCHEMBL23059288

SCHEMBL23059288

CC(C)Cn1ncc2c(N)nc(C3CC3)nc21

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE8B O95263 13/20 0.45
▸ PDE9A O76083 7/20 0.37
▸ PDE1C Q14123 1/20 0.36

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
SCHEMBL30748216 0.85 PDE9A (0.41) PDE8BPDE9APDE1C
SCHEMBL29174835 0.85 PDE9A (0.41) PDE8BPDE9APDE1C
SCHEMBL30748221 0.85 PDE9A (0.41) PDE8BPDE9APDE1C
SCHEMBL30748213 0.84 PDE9A (0.37) PDE8BPDE9APDE1C
SCHEMBL29174802 0.84 PDE9A (0.37) PDE8BPDE9APDE1C
SCHEMBL179563 0.77 PDE8B (0.40) PDE8B
SCHEMBL23059281 0.77 PDE8B (0.40) PDE8B
SCHEMBL23059284 0.77 PDE8B (0.41) PDE8B
SCHEMBL23059289 0.74 PDE9A (0.37) PDE9A
SCHEMBL29174800 0.71 PDE9A (0.39) PDE9APDE1C

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-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2021-03-04 — — 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-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB PDE8B 1354/4885PDE9A 1082/4885PDE1C 913/4885

“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.

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