SCHEMBL25004048

SCHEMBL25004048

COc1ncc(C(C)(C)C)c2cc(F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.39
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
MAPT P10636 2/20 0.36
TDO2 P48775 1/20 0.35
SQOR Q9Y6N5 1/20 0.35
TRPA1 O75762 5/20 0.35
PIK3CA P42336 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
CASP1 P29466 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL25003184 0.94 MAP4K1 (0.36) MAP4K1ALOX5APFEN1MAPTTDO2
SCHEMBL25004050 0.85 MAP4K1 (0.36) MAP4K1MAPTTDO2TRPA1PIK3CA
SCHEMBL26262829 0.83 MAP4K1 (0.40) MAP4K1MAPT
SCHEMBL25003722 0.82 MAP4K1 (0.38) MAP4K1ALOX5APFEN1MAPTPIK3CA
SCHEMBL25003191 0.81 MAP4K1 (0.37) MAP4K1CYP2C9GABRA1GABRG2GABRB3
SCHEMBL25003399 0.78 ALDH1A1 (0.50) MAP4K1ALOX5APFEN1MAPTSQOR
SCHEMBL25003708 0.77 ALOX5AP (0.35) MAP4K1ALOX5APFEN1TRPA1PIK3CA
SCHEMBL26262846 0.77 PIK3CA (0.36) MAP4K1ALOX5APFEN1MAPTPIK3CA
SCHEMBL12775114 0.76 ACHE (0.39) MAP4K1MAPT
SCHEMBL12035854 0.76 MAP4K1 (0.36) MAP4K1ALOX5APFEN1MAPTSQOR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-02-09 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 (2 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-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF MAP4K1 3609/4885ALOX5AP 2603/4885FEN1 2821/4885
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, HMBS, AHCY MAP4K1 4500/4885ALOX5AP 3507/4885FEN1 975/4885

“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.