SCHEMBL29174835

SCHEMBL29174835

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 12/20 0.41
▸ PDE1C Q14123 1/20 0.41
▸ PDE10A Q9Y233 5/20 0.40
▸ PDE8B O95263 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ TRAP1 Q12931 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 1.00 PDE9A (0.41) PDE9APDE1CPDE10APDE8BHSP90AA1
SCHEMBL30748221 1.00 PDE9A (0.41) PDE9APDE1CPDE10APDE8BHSP90AA1
SCHEMBL23059288 0.85 PDE8B (0.45) PDE9APDE1CPDE8B
SCHEMBL30748213 0.85 PDE9A (0.37) PDE9APDE1CPDE8B
SCHEMBL29174802 0.85 PDE9A (0.37) PDE9APDE1CPDE8B
SCHEMBL30095904 0.84 PDE10A (0.43) PDE10APDE8BHSP90AA1TRAP1
SCHEMBL29174904 0.84 PDE10A (0.43) PDE10APDE8BHSP90AA1TRAP1
SCHEMBL30095754 0.83 PDE9A (0.39) PDE9APDE1C
SCHEMBL29174800 0.83 PDE9A (0.39) PDE9APDE1C
SCHEMBL16981657 0.81 PDE9A (0.44) PDE9APDE1CHSP90AA1TRAP1

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-20240270750-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-08-15 — — US disclosed
CN-117529315-A Imidazole-containing ALK2 kinase inhibitors 生物水晶制药公司 2024-02-06 — — CN 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-20240270750-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A PDE9A 423/4885PDE1C 953/4885PDE10A 822/4885

“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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