SCHEMBL29174763

SCHEMBL29174763

CCn1ncc2c(Cl)nc(CC3CC3)nc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 13/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ MAT2A P31153 2/20 0.35
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ XDH P47989 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
SCHEMBL30095696 1.00 LRRK2 (0.38) LRRK2ADORA3ADORA2AADORA1MAT2A
SCHEMBL29174930 0.87 ADORA2A (0.37) LRRK2ADORA2AADORA1PDE1APDE1B
SCHEMBL30748232 0.87 ADORA2A (0.37) LRRK2ADORA2AADORA1PDE1APDE1B
SCHEMBL30095933 0.87 PDE1A (0.39) PDE1APDE1BPDE1C
SCHEMBL30748206 0.86 PDE1A (0.38) PDE1APDE1BPDE1C
SCHEMBL30095754 0.85 PDE9A (0.39) ADORA1PDE1C
SCHEMBL29174800 0.85 PDE9A (0.39) ADORA1PDE1C
SCHEMBL30748235 0.83 PDE2A (0.40) —
SCHEMBL29174794 0.83 PDE2A (0.40) —
SCHEMBL29174904 0.81 PDE10A (0.43) LRRK2ADORA3ADORA2AADORA1MAT2A

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 LRRK2 806/4885ADORA3 2884/4885ADORA2A 3254/4885

“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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