SCHEMBL17507078

SCHEMBL17507078

Cc1c(F)c(F)nc(Nc2cc(C3CCN(C(=O)C(F)F)CC3)nc(C(C)C)n2)c1F

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 8/20 0.40
▸ KDM5A P29375 11/20 0.35
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 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
SCHEMBL17507051 0.85 MAP3K12 (0.45) MAP3K12TLR9TLR8TLR7
SCHEMBL17507029 0.80 MAP3K12 (0.51) MAP3K12
SCHEMBL17507050 0.79 MAP3K12 (0.55) MAP3K12
SCHEMBL17507055 0.78 MAP3K12 (0.58) MAP3K12
SCHEMBL17507059 0.76 MAP3K12 (0.60) MAP3K12TLR8TLR7
SCHEMBL16220056 0.75 MAP3K12 (0.69) MAP3K12
SCHEMBL17507010 0.73 MAP3K12 (0.51) MAP3K12
SCHEMBL17507062 0.71 MAP3K12 (0.55) MAP3K12
SCHEMBL17507022 0.71 MAP3K12 (0.49) MAP3K12
SCHEMBL17507073 0.70 MAP3K12 (0.51) MAP3K12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868720-B2 C-linked heterocycloaklyl substituted pyrimidines and their uses GENENTECH, INC. (US) 2018-01-16 — — US disclosed
US-20160046608-A1 C-Linked Heterocycloaklyl Substituted Pyrimidines and their uses GENENTECH, INC. (US) 2016-02-18 — — 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-20160046608-A1 C-Linked Heterocycloaklyl Substituted Pyrimidines and their uses TYMS, DPYD, TYMP MAP3K12 1825/4885KDM5A 2340/4885TLR9 2769/4885

“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.

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