SCHEMBL4769773

SCHEMBL4769773

N#Cc1cc(Nc2ccc(Cc3ccccc3)cc2)c2cc(F)ncc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.44
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MAP3K8 P41279 3/20 0.39
MAPK13 O15264 1/20 0.39
SRC P12931 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
ACP1 P24666 3/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPKAPK2 P49137 2/20 0.35
CHEK1 O14757 1/20 0.33
ADORA3 P0DMS8 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
SCHEMBL4767004 0.90 ABCG2 (0.43) MAP2K1ABCB1ABCG2ACP1ALDH1A1
SCHEMBL4776048 0.85 NPC1 (0.41) ABCB1ABCG2ACP1MAPTMAPKAPK2
SCHEMBL4766924 0.84 ABCB1 (0.39) MAP2K1ABCB1ABCG2MAP3K8MAPK13
SCHEMBL4775748 0.82 MAPKAPK2 (0.45) MAP2K1ABCB1ABCG2SRCACP1
SCHEMBL4769765 0.82 SLC2A1 (0.42) ABCB1ABCG2ACP1ALDH1A1MAPKAPK2
SCHEMBL4776121 0.80 KCNQ3 (0.39) ABCB1ABCG2LMNAMAPTMAPKAPK2
SCHEMBL5118473 0.80 MAPKAPK2 (0.51) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL4767045 0.78 MAP2K1 (0.46) MAP2K1ABCB1ABCG2ACP1RAF1
SCHEMBL4777269 0.78 MAP2K1 (0.67) MAP2K1MAP3K8MAPK13SRCMAPK12
SCHEMBL4777976 0.77 FADS1 (0.43) CNR2

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 MAP2K1 416/4885ABCB1 2496/4885ABCG2 3881/4885

“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.