SCHEMBL30749658

SCHEMBL30749658

COc1cc2c(cnn2-c2ccc(Br)cn2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 18/20 0.43
IRAK4 Q9NWZ3 2/20 0.39

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
SCHEMBL27170629 1.00 MAP4K1 (0.43) MAP4K1IRAK4
SCHEMBL30749607 0.83 MAP4K1 (0.47) MAP4K1
SCHEMBL27170740 0.83 MAP4K1 (0.47) MAP4K1
SCHEMBL27170578 0.79 CYP11B1 (0.38) MAP4K1IRAK4
SCHEMBL30749528 0.79 CYP11B1 (0.38) MAP4K1IRAK4
SCHEMBL30749628 0.78 MAP4K1 (0.45) MAP4K1
SCHEMBL27170710 0.78 MAP4K1 (0.45) MAP4K1
SCHEMBL25366126 0.73 MAP4K1 (0.47) MAP4K1IRAK4
SCHEMBL25340971 0.71 CYP11B2 (0.47) MAP4K1
SCHEMBL25368535 0.68 MAP4K1 (0.51) MAP4K1

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-20240083853-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-03-14 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-20240083853-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 MAP4K1 3312/4885IRAK4 3981/4885

“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.