SCHEMBL25528819

SCHEMBL25528819

COC[C@@H]1CCCN1c1nc(Cl)nc2cc(OC(C)C)ccc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ NMT1 P30419 2/20 0.38
▸ PDE10A Q9Y233 1/20 0.37
▸ CTNNB1 P35222 1/20 0.37
▸ TCF7L2 Q9NQB0 1/20 0.37
▸ ACACB O00763 6/20 0.37
▸ ADORA2A P29274 4/20 0.37
▸ ADORA1 P30542 3/20 0.37
▸ CNR2 P34972 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
SCHEMBL30548859 0.89 CCNE2 (0.44) SCN9AADORA2AADORA1
SCHEMBL20589214 0.89 CCNE2 (0.44) SCN9AADORA2AADORA1
SCHEMBL20589213 0.89 CCNE2 (0.44) SCN9AADORA2AADORA1
SCHEMBL20589305 0.89 CCNE2 (0.44) SCN9AADORA2AADORA1
SCHEMBL25529900 0.77 SMN1; SMN2 (0.54) —
SCHEMBL2018756 0.72 JAK3 (0.43) CRHR1SCN9ANMT1PDE10AADORA2A
SCHEMBL2018758 0.72 JAK3 (0.43) CRHR1SCN9ANMT1PDE10AADORA2A
SCHEMBL20589654 0.71 ACVR1 (0.51) PDE10AADORA2AADORA1CNR2
SCHEMBL20589653 0.71 ACVR1 (0.51) PDE10AADORA2AADORA1CNR2
SCHEMBL25214718 0.69 CCNE2 (0.49) PDE10AADORA2AADORA1CNR2

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-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2023-05-30 — — 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-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A CRHR1 4847/4885SCN9A 1582/4885NMT1 3299/4885

“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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