SCHEMBL5113749

SCHEMBL5113749

N#Cc1cnc2cnc(NCc3cccnc3)cc2c1Nc1cccc(OC(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 11/20 0.68
MAPK13 O15264 3/20 0.68
MAPK12 P53778 3/20 0.68
MAPK11 Q15759 3/20 0.68
MAPK14 Q16539 3/20 0.68
EIF2AK2 P19525 1/20 0.68
SRC P12931 3/20 0.57
EGFR P00533 5/20 0.48
MAP2K1 Q02750 3/20 0.44
ERBB2 P04626 3/20 0.43
RAF1 P04049 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE4B Q07343 1/20 0.42

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
SCHEMBL5116860 0.92 MAP3K8 (0.70) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL5111372 0.88 MAP3K8 (0.67) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL4773950 0.85 MAP3K8 (0.74) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL5124937 0.85 MAP3K8 (0.71) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL4766912 0.85 MAP3K8 (0.79) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL4769727 0.84 MAP3K8 (0.79) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL4767287 0.83 MAP3K8 (0.75) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL5118168 0.83 MAP3K8 (0.85) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL5118384 0.81 MAP3K8 (0.85) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL5124439 0.81 MAP3K8 (0.73) MAP3K8MAPK13MAPK12MAPK11MAPK14

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-7432279-B2 4,6-diamino-[1,7]naphthyridine-3-carbonitrile inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2008-10-07 US disclosed
US-20060276498-A1 4,6-diamino-[1,7]naphthyridine-3-carbonitrile inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-12-07 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-20060276498-A1 4,6-diamino-[1,7]naphthyridine-3-carbonitrile inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CNKSR1, DTYMK MAP3K8 99/4885MAPK13 404/4885MAPK12 778/4885

“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.