SCHEMBL12878769

SCHEMBL12878769

CC(C)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2ncc(F)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
MAP3K12 Q12852 1/20 0.41
PIK3CD O00329 6/20 0.37
PIK3R1 P27986 3/20 0.37
HDAC1 Q13547 1/20 0.36
CHRNA7 P36544 2/20 0.34
KCNH2 Q12809 2/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
TLR9 Q9NR96 2/20 0.32
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32

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
SCHEMBL12879701 0.88 MAP3K12 (0.42) SYKMAP3K12PIK3CDPIK3R1CHRNA7
SCHEMBL12892310 0.84 CHRNA7 (0.49) CHRNA7KCNH2
SCHEMBL25900772 0.76 MAP3K12 (0.38) SYKMAP3K12KCNH2CHRNB2CHRNA4
SCHEMBL1898615 0.75 MAP3K12 (0.42) SYKMAP3K12KCNH2CHRNB2CHRNA4
SCHEMBL1892540 0.75 MAP3K12 (0.42) SYKMAP3K12KCNH2CHRNB2CHRNA4
SCHEMBL1896831 0.75 MAP3K12 (0.42) SYKMAP3K12KCNH2CHRNB2CHRNA4
SCHEMBL12879194 0.75 MAP3K12 (0.39) MAP3K12PIK3CDPIK3R1HDAC1CHRNB2
SCHEMBL19368143 0.74 MAP3K12 (0.39) SYKMAP3K12CHRNA7KCNH2
SCHEMBL1200343 0.74 GPR119 (0.49) HDAC1
SCHEMBL12193332 0.73 HDAC4 (0.33) HDAC1CHRNA7CHRNB2CHRNA4

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 SYK 423/4885MAP3K12 34/4885PIK3CD 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.