SCHEMBL4766924

SCHEMBL4766924

N#Cc1cc(Nc2ccc(Sc3ccccc3)cc2)c2cc(F)ncc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MAP2K1 Q02750 6/20 0.38
MAPK13 O15264 1/20 0.38
SRC P12931 1/20 0.38
MAP3K8 P41279 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
ACP1 P24666 5/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
RAF1 P04049 3/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGIR P43119 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) ABCB1ABCG2MAP2K1ACP1RAF1
SCHEMBL4776048 0.85 NPC1 (0.41) ABCB1ABCG2ACP1CDC7
SCHEMBL4769773 0.84 MAP2K1 (0.44) ABCB1ABCG2MAP2K1MAPK13SRC
SCHEMBL4769765 0.82 SLC2A1 (0.42) ABCB1ABCG2ACP1KDM4EALDH1A1
SCHEMBL4775748 0.82 MAPKAPK2 (0.45) ABCB1ABCG2MAP2K1SRCACP1
SCHEMBL4776121 0.80 KCNQ3 (0.39) ABCB1ABCG2LMNA
SCHEMBL4767045 0.78 MAP2K1 (0.46) ABCB1ABCG2MAP2K1ACP1RAF1
SCHEMBL5114679 0.78 MAP2K1 (0.59) MAP2K1MAPK13SRCMAP3K8MAPK12
SCHEMBL4777976 0.77 FADS1 (0.43) MAOB
SCHEMBL19610527 0.68 CYP1A2 (0.43) ABCB1ABCG2ACP1ALDH1A1

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

“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.