SCHEMBL17507009

SCHEMBL17507009

Cc1ccnc(Nc2cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc(-c3cnn(C)c3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 18/20 0.62
▸ SYK P43405 1/20 0.47
▸ IRAK1 P51617 1/20 0.47

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
SCHEMBL16220047 0.89 MAP3K12 (0.78) MAP3K12
SCHEMBL16220162 0.86 MAP3K12 (0.75) MAP3K12
SCHEMBL16220223 0.85 MAP3K12 (0.71) MAP3K12SYK
SCHEMBL16220060 0.84 MAP3K12 (0.61) MAP3K12
SCHEMBL17507061 0.84 MAP3K12 (0.59) MAP3K12SYK
SCHEMBL16220322 0.82 MAP3K12 (0.68) MAP3K12
SCHEMBL16220455 0.80 MAP3K12 (0.84) MAP3K12
SCHEMBL16220320 0.78 CHEK1 (0.53) MAP3K12
SCHEMBL16220387 0.77 MAP3K12 (1.00) MAP3K12
SCHEMBL16220154 0.76 MAP3K12 (0.61) MAP3K12SYK

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 6 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-9868720-B2 C-linked heterocycloaklyl substituted pyrimidines and their uses GENENTECH, INC. (US) 2018-01-16 — — US disclosed
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
US-20160046608-A1 C-Linked Heterocycloaklyl Substituted Pyrimidines and their uses GENENTECH, INC. (US) 2016-02-18 — — 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 1825/4885SYK 2556/4885IRAK1 1234/4885

“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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