SCHEMBL20356642

SCHEMBL20356642

CCOC(O)c1ncn2ccc(=O)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.42
▸ HCAR1 Q9BXC0 4/20 0.33
▸ CRBN Q96SW2 1/20 0.32
▸ DUT P33316 2/20 0.32

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
SCHEMBL20356713 0.71 PKM (0.42) PKMCRBNDUT
SCHEMBL23230384 0.62 PKM (0.40) PKM
SCHEMBL24533108 0.62 TSHR (0.46) —
SCHEMBL22887993 0.61 PDE4B (0.30) —
SCHEMBL17371827 0.59 PKM (1.00) PKMCRBNDUT
SCHEMBL25183491 0.58 PKM (0.52) PKMCRBNDUT
SCHEMBL19942395 0.58 PKM (0.36) PKM
SCHEMBL3723938 0.57 APOBEC3A (0.40) PKM
SCHEMBL27663547 0.57 PKM (0.50) PKMCRBNDUT
SCHEMBL26040211 0.56 PKM (0.62) PKMCRBNDUT

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-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — 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-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PKM 2281/4885HCAR1 1115/4885CRBN 1773/4885

“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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