SCHEMBL29874506

SCHEMBL29874506

O=C(Nc1n[nH]c2nc(Nc3cccc4c3CCC4)c(F)cc12)C1CCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 18/20 0.47
▸ GSK3B P49841 18/20 0.47
▸ CDK2 P24941 4/20 0.43
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ MYLK Q15746 1/20 0.42
▸ MARK1 Q9P0L2 1/20 0.42
▸ PIM2 Q9P1W9 1/20 0.42
▸ ULK1 O75385 2/20 0.41

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
SCHEMBL23356109 0.99 GSK3A (0.47) GSK3AGSK3BCDK2ADORA2AADORA1
SCHEMBL30791235 0.99 GSK3A (0.47) GSK3AGSK3BCDK2ADORA2AADORA1
SCHEMBL30791290 0.86 ALDH1A1 (0.42) ULK1
SCHEMBL23356047 0.86 ALDH1A1 (0.42) ULK1
SCHEMBL30791240 0.82 L3MBTL1 (0.54) GSK3BCDK2ULK1
SCHEMBL23356088 0.82 L3MBTL1 (0.54) GSK3BCDK2ULK1
SCHEMBL23356090 0.81 NISCH (0.42) ULK1
SCHEMBL30791245 0.81 NISCH (0.42) ULK1
SCHEMBL23356124 0.81 RXRA (0.42) ULK1
SCHEMBL23356014 0.80 NISCH (0.43) ULK1

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-20220259199-A1 NOVEL HETEROCYCLE DERIVATIVE JW PHARMACEUTICAL CORPORATION (KR) 2022-08-18 — — 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-20220259199-A1 NOVEL HETEROCYCLE DERIVATIVE AR, BRDT, NR5A1 GSK3A 1526/4885GSK3B 1258/4885CDK2 475/4885

“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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