SCHEMBL3717429

SCHEMBL3717429

COc1ccc(-c2cc(C(C)(C)C)c(OC)c3cc(-c4ccc(C(N)=O)cc4)cnc23)c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.43
CHEK2 O96017 6/20 0.40
MAP3K11 Q16584 5/20 0.39
MKNK1 Q9BUB5 3/20 0.39
MKNK2 Q9HBH9 2/20 0.39
CHEK1 O14757 2/20 0.38
MAP4K4 O95819 2/20 0.38
RIPK1 Q13546 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
SCHEMBL3717432 0.89 FYN (0.38) FYNCHEK2MAP3K11MAP4K4
SCHEMBL1702596 0.82 CYP3A4 (0.41) FYN
SCHEMBL2446596 0.78 CYP3A4 (0.33)
SCHEMBL1702352 0.78 CYP3A4 (0.32)
SCHEMBL1702767 0.75 MAPK10 (0.41)
SCHEMBL1703190 0.74 CYP3A4 (0.41)
SCHEMBL16152430 0.73 ALDH1A1 (0.33)
SCHEMBL2447905 0.72 MAP3K11 (0.41) MAP3K11
SCHEMBL12302501 0.70 CYP3A4 (0.39) MAP3K11
SCHEMBL1702740 0.70 ERBB2 (0.33)

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
EP-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP claimed
WO-2010142656-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO claimed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 US claimed

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-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, XDH, GTF3C4 FYN 3846/4885CHEK2 2453/4885MAP3K11 3308/4885

“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.