SCHEMBL25455442

SCHEMBL25455442

CCC(C)(C)C(=O)Nc1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.43
▸ HIF1A Q16665 3/20 0.39
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ PDGFRB P09619 4/20 0.36
▸ KDR P35968 4/20 0.36
▸ CNR2 P34972 3/20 0.36
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ AAK1 Q2M2I8 2/20 0.35
▸ F2 P00734 1/20 0.34
▸ F11 P03951 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34

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
SCHEMBL30161251 0.89 DGAT1 (0.41) DGAT1HIF1AGSK3AGSK3BPDGFRB
SCHEMBL21864818 0.89 DGAT1 (0.41) DGAT1HIF1AGSK3AGSK3BPDGFRB
SCHEMBL30161518 0.78 DGAT1 (0.43) DGAT1HIF1AGSK3AGSK3BPDGFRB
SCHEMBL29545777 0.77 EGFR (0.39) DGAT1
SCHEMBL1368949 0.77 EGFR (0.39) DGAT1
SCHEMBL25453515 0.76 PIK3CA (0.34) DGAT1HIF1APIK3CA
SCHEMBL25454628 0.76 DGAT1 (0.36) DGAT1HIF1AGSK3AGSK3BPRMT5
SCHEMBL23839128 0.73 SYK (0.51) PRMT5WDR77AAK1
SCHEMBL1344397 0.72 KDR (0.43) PDGFRBKDRF11
SCHEMBL20576609 0.71 MAPK14 (0.40) KDR

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 864/4885HIF1A 3822/4885GSK3A 1333/4885

“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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