SCHEMBL25004050

SCHEMBL25004050

CCC(C)(C)c1cnc(OC)c2ccc(F)cc12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 12/20 0.36
NR3C1 P04150 2/20 0.34
NR3C2 P08235 1/20 0.34
MAPT P10636 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
TDO2 P48775 1/20 0.33
PIK3CA P42336 1/20 0.32
TRPA1 O75762 1/20 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
SCHEMBL25004048 0.85 MAP4K1 (0.39) MAP4K1MAPTAAK1TDO2PIK3CA
SCHEMBL25003435 0.84 MAOA (0.36) MAP4K1
SCHEMBL25003720 0.84 MAP4K1 (0.36) MAP4K1PIK3CA
SCHEMBL25003184 0.80 MAP4K1 (0.36) MAP4K1MAPTTDO2PIK3CATRPA1
SCHEMBL25003709 0.80 AAK1 (0.35) MAP4K1AAK1
SCHEMBL25003919 0.78 KMT2A (0.34) MAP4K1AAK1
SCHEMBL25003412 0.77 ALOX5AP (0.30)
SCHEMBL19592858 0.70 PIK3CA (0.42) MAPTAAK1PIK3CA
SCHEMBL26262829 0.69 MAP4K1 (0.40) MAP4K1MAPT
SCHEMBL25003722 0.68 MAP4K1 (0.38) MAP4K1MAPTPIK3CA

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-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 (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-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, HMBS, AHCY MAP4K1 4500/4885NR3C1 3196/4885NR3C2 3858/4885

“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.