SCHEMBL12879701

SCHEMBL12879701

Cc1cnc(-c2ccc(N3C[C@@H]4C[C@H]3CN4C(C)C)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.42
SYK P43405 1/20 0.42
PIK3CD O00329 5/20 0.35
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
CHRNA7 P36544 3/20 0.34
KCNH2 Q12809 3/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
PIK3R1 P27986 1/20 0.31
HDAC4 P56524 2/20 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
SCHEMBL12878769 0.88 SYK (0.41) MAP3K12SYKPIK3CDTLR9TLR8
SCHEMBL25900772 0.83 MAP3K12 (0.38) MAP3K12SYKTLR9TLR8TLR7
SCHEMBL1892540 0.76 MAP3K12 (0.42) MAP3K12SYKTLR9TLR8TLR7
SCHEMBL1898615 0.76 MAP3K12 (0.42) MAP3K12SYKTLR9TLR8TLR7
SCHEMBL1896831 0.76 MAP3K12 (0.42) MAP3K12SYKTLR9TLR8TLR7
SCHEMBL19368143 0.75 MAP3K12 (0.39) MAP3K12SYKCHRNA7KCNH2
SCHEMBL20070477 0.74 CHRNB2 (0.56) MAP3K12SYKPIK3CDCHRNB2CHRNA4
SCHEMBL12892310 0.72 CHRNA7 (0.49) CHRNA7KCNH2
SCHEMBL12878766 0.68 KDM4E (0.53) KCNH2
SCHEMBL2389615 0.68 MAP3K12 (0.51) MAP3K12SYKTLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 MAP3K12 34/4885SYK 423/4885PIK3CD 126/4885

“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.