SCHEMBL4776121

SCHEMBL4776121

N#Cc1cc(Nc2ccc(F)c(F)c2)c2cc(F)ncc2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
IDO1 P14902 1/20 0.38
TRPA1 O75762 3/20 0.38
EGFR P00533 6/20 0.35
ERBB2 P04626 3/20 0.34
TDO2 P48775 2/20 0.34
PTGS2 P35354 1/20 0.34
CD38 P28907 1/20 0.34
DHFR P00374 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL4775748 0.88 MAPKAPK2 (0.45) EGFRPTGS2MAPTMAPKAPK2ABCB1
SCHEMBL4776048 0.87 NPC1 (0.41) EGFRERBB2PTGS2MAPTMAPKAPK2
SCHEMBL4769765 0.85 SLC2A1 (0.42) EGFRERBB2PTGS2MAPKAPK2ABCB1
SCHEMBL4767004 0.85 ABCG2 (0.43) EGFRLMNAMAPTHPGDABCB1
SCHEMBL4777976 0.84 FADS1 (0.43) EGFRERBB2TDO2PTGS2SYK
SCHEMBL4766924 0.80 ABCB1 (0.39) LMNAABCB1ABCG2
SCHEMBL4769773 0.80 MAP2K1 (0.44) LMNAMAPTMAPKAPK2ABCB1ABCG2
SCHEMBL4767045 0.78 MAP2K1 (0.46) EGFRERBB2ABCB1ABCG2
SCHEMBL4774191 0.75 EGFR (0.55) EGFRERBB2
SCHEMBL4768795 0.71 CYP11B2 (0.38)

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 4 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
EP-1881981-A1 4, 6-DIAMINO-[1,7] NAPHTHYRIDINE-3-CARBONITRILE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-01-30 EP 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
WO-2006124944-A1 4, 6-DIAMINO-[1,7] NAPHTHYRIDINE-3-CARBONITRILE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 WO 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 KCNQ3 4231/4885KCNQ2 4114/4885IDO1 1369/4885

“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.