SCHEMBL17507008

SCHEMBL17507008

CC(=O)N1CCC(c2cc(Nc3nc(F)c(F)c(C)c3F)nc(-c3cnn(C)c3)n2)C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 6/20 0.56
▸ KDM5A P29375 12/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ KDM5C P41229 1/20 0.41
▸ IRAK1 P51617 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ WNT1 P04628 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38

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
SCHEMBL17507004 0.96 MAP3K12 (0.51) MAP3K12KDM5AKDM4CKDM5C
SCHEMBL17507037 0.84 MAP3K12 (0.45) MAP3K12
SCHEMBL16220223 0.80 MAP3K12 (0.71) MAP3K12
SCHEMBL17507081 0.78 MAP3K12 (0.61) MAP3K12
SCHEMBL17507062 0.78 MAP3K12 (0.55) MAP3K12
SCHEMBL16220516 0.77 MAP3K12 (0.91) MAP3K12
SCHEMBL17507042 0.77 MAP3K12 (0.51) MAP3K12
SCHEMBL16220047 0.76 MAP3K12 (0.78) MAP3K12
SCHEMBL17507026 0.74 MAP3K12 (0.49) MAP3K12
SCHEMBL17507075 0.74 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 1825/4885KDM5A 2340/4885KDM4C 1229/4885

“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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