SCHEMBL25454628

SCHEMBL25454628

CC(C)(C)C(O)Nc1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ AAK1 Q2M2I8 2/20 0.35
▸ EGFR P00533 2/20 0.34
▸ HIF1A Q16665 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ SNCA P37840 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ LPL P06858 4/20 0.32
▸ LIPG Q9Y5X9 4/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ ALPL P05186 1/20 0.32
▸ GSK3A P49840 1/20 0.30
▸ GSK3B P49841 1/20 0.30

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
SCHEMBL1368949 0.80 EGFR (0.39) DGAT1EGFRIDO1TDO2SNCA
SCHEMBL29545777 0.80 EGFR (0.39) DGAT1EGFRIDO1TDO2SNCA
SCHEMBL30161251 0.80 DGAT1 (0.41) DGAT1FFAR1HIF1AIDO1TDO2
SCHEMBL21864818 0.80 DGAT1 (0.41) DGAT1FFAR1HIF1AIDO1TDO2
SCHEMBL20445835 0.79 RPS6KB1 (0.48) —
SCHEMBL20445801 0.79 RPS6KB1 (0.48) —
SCHEMBL25455442 0.76 DGAT1 (0.43) DGAT1FFAR1AAK1HIF1APRMT5
SCHEMBL20445792 0.75 RPS6KB1 (0.52) EGFRIDO1TDO2
SCHEMBL20445793 0.75 RPS6KB1 (0.52) EGFRIDO1TDO2
SCHEMBL24744297 0.72 EGFR (0.43) EGFRIDO1TDO2SNCAIRAK4

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-20230143059-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2023-05-11 — — 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-20230143059-A1 GCN2 MODULATOR COMPOUNDS EIF2AK4, GPR119, GCN1 DGAT1 864/4885FFAR1 321/4885AAK1 1582/4885

“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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