SCHEMBL30748232

SCHEMBL30748232

Clc1nc(CC2CC2)nc2c1cnn2CC1CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ ALDH1A2 O94788 1/20 0.36
▸ ALDH1A3 P47895 1/20 0.36
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.34
▸ HSP90AA1 P07900 4/20 0.34
▸ TRAP1 Q12931 4/20 0.34
▸ HSP90B1 P14625 1/20 0.34
▸ MERTK Q12866 5/20 0.33
▸ HSP90AB1 P08238 1/20 0.32
▸ PDE8B O95263 1/20 0.32
▸ GRM2 Q14416 1/20 0.31
▸ KAT2B Q92831 1/20 0.31
▸ AXL P30530 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
SCHEMBL29174930 1.00 ADORA2A (0.37) ADORA2AADORA1ALDH1A1ALDH1A2ALDH1A3
SCHEMBL30095696 0.87 LRRK2 (0.38) ADORA2AADORA1PDE1APDE1BPDE1C
SCHEMBL29174763 0.87 LRRK2 (0.38) ADORA2AADORA1PDE1APDE1BPDE1C
SCHEMBL29174974 0.84 PDE10A (0.39) ADORA2AADORA1ALDH1A1ALDH1A2ALDH1A3
SCHEMBL30095663 0.84 PDE10A (0.39) ADORA2AADORA1ALDH1A1ALDH1A2ALDH1A3
SCHEMBL29174800 0.84 PDE9A (0.39) ADORA1PDE1C
SCHEMBL30095754 0.84 PDE9A (0.39) ADORA1PDE1C
SCHEMBL30095986 0.84 ADORA2A (0.39) ADORA2AADORA1ALDH1A1ALDH1A2ALDH1A3
SCHEMBL30095933 0.83 PDE1A (0.39) PDE1APDE1BPDE1CGRM2
SCHEMBL30748235 0.81 PDE2A (0.40) ALDH1A1

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 ADORA2A 3254/4885ADORA1 3027/4885ALDH1A1 980/4885

“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.

Send feedback