SCHEMBL22474087

SCHEMBL22474087

Nc1cccc(-c2nncn2C2CCC(F)(F)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 11/20 0.46
MAP4K1 Q92918 5/20 0.43
TNF P01375 3/20 0.40
MYLK Q15746 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
SCHEMBL943982 0.88 MAP3K5 (0.53) MAP3K5TNFMYLK
SCHEMBL30558025 0.88 MAP3K5 (0.53) MAP3K5TNFMYLK
SCHEMBL20802774 0.85 MAP3K5 (0.48) MAP3K5MAP4K1TNFMYLK
SCHEMBL20802751 0.85 MAP3K5 (0.48) MAP3K5MAP4K1TNFMYLK
SCHEMBL22404532 0.84 MAP3K5 (0.47) MAP3K5MAP4K1TNFMYLK
SCHEMBL21724515 0.82 MAP3K5 (0.50) MAP3K5MAP4K1TNFMYLK
SCHEMBL22474083 0.82 MAP3K5 (0.53) MAP3K5TNFMYLK
SCHEMBL20803414 0.82 TNF (0.48) MAP3K5TNFMYLK
SCHEMBL22404523 0.78 MAP3K5 (0.42) MAP3K5TNFMYLK
SCHEMBL20803424 0.78 MAP3K5 (0.44) MAP3K5TNFMYLK

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-10787435-B2 ASK1 inhibitor and preparation method and use thereof Fuijan Cosunter Pharmaceutical Co. Ltd. (CN) 2020-09-29 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-10787435-B2 ASK1 inhibitor and preparation method and use thereof MARK1, MAP3K1, MAP3K20 MAP3K5 10/4885MAP4K1 27/4885TNF 1566/4885

“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.