SCHEMBL17507068

SCHEMBL17507068

Cc1c(F)c(F)nc(Nc2cc(C3CCCN(C)C3)nc(N3CC(C#N)C3)n2)c1F

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 16/20 0.55
▸ NLRP3 Q96P20 1/20 0.34
▸ IGF1R P08069 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ DRD2 P14416 1/20 0.31
▸ DRD3 P35462 1/20 0.31

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
SCHEMBL17507006 0.90 MAP3K12 (0.55) MAP3K12
SCHEMBL17507040 0.88 MAP3K12 (0.52) MAP3K12
SCHEMBL17507013 0.87 MAP3K12 (0.61) MAP3K12NLRP3
SCHEMBL17507042 0.85 MAP3K12 (0.51) MAP3K12
SCHEMBL17507022 0.83 MAP3K12 (0.49) MAP3K12
SCHEMBL17507055 0.80 MAP3K12 (0.58) MAP3K12NLRP3IGF1R
SCHEMBL16220524 0.76 MAP3K12 (0.92) MAP3K12
SCHEMBL17507063 0.74 MAP3K12 (0.53) MAP3K12
SCHEMBL17507035 0.72 MAP3K12 (0.45) MAP3K12
SCHEMBL17507002 0.72 MAP3K12 (0.46) 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 1825/4885NLRP3 586/4885IGF1R 1540/4885

“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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