SCHEMBL4769778

SCHEMBL4769778

COc1ccc(CNc2cc3c(Nc4cccc(Br)c4)c(C#N)cnc3cn2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.68
ERBB2 P04626 15/20 0.62
GAK O14976 1/20 0.62
MAP3K8 P41279 2/20 0.56
MAPK13 O15264 1/20 0.51
EIF2AK2 P19525 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
MAPK14 Q16539 1/20 0.51
MAP2K1 Q02750 1/20 0.51

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
SCHEMBL5118440 0.88 EGFR (0.63) EGFRERBB2GAKMAP3K8MAPK13
SCHEMBL6640289 0.83 EGFR (0.66) EGFRERBB2GAK
SCHEMBL5111293 0.83 MAP3K8 (0.79) EGFRERBB2MAP3K8MAPK13EIF2AK2
SCHEMBL6381476 0.82 EGFR (0.75) EGFRERBB2GAKMAP2K1
SCHEMBL6644272 0.82 EGFR (0.69) EGFRERBB2GAK
SCHEMBL2994863 0.81 EGFR (1.00) EGFRERBB2
SCHEMBL6380823 0.80 EGFR (0.75) EGFRERBB2GAKMAP2K1
SCHEMBL7563757 0.79 EGFR (0.71) EGFRERBB2GAKMAP3K8MAP2K1
SCHEMBL28774455 0.78 MAP3K8 (0.82) EGFRERBB2MAP3K8MAPK13EIF2AK2
SCHEMBL6381853 0.77 EGFR (1.00) EGFRERBB2GAKMAP2K1

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 16 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 claimed
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 claimed
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 claimed
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 claimed
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-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-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
EP-1171440-B1 SUBSTITUTED-3-CYANO-[1.7],[1.5], AND [1.8]-NAPHTHYRIDINE INHIBITORS OF TYROSINE KINASES WYETH CORP (US) 2004-04-14 EP disclosed
US-6548496-B2 Anticancer agents AMERICAN CYANAMID COMPANY 2003-04-15 US disclosed
US-20020165229-A1 Substituted 3-cyano-[1.7], [1.5], and [1.8] naphthyridine inhibitors of tyrosine kinases AMERICAN CYANAMID COMPANY 2002-11-07 US disclosed
US-6355636-B1 ENZYME INHIBITORS AMERICAN CYANAMID COMPANY 2002-03-12 US disclosed
EP-1171440-A1 SUBSTITUTED-3-CYANO-[1.7],[1.5], AND [1.8]-NAPHTHYRIDINE INHIBITORS OF TYROSINE KINASES American Cyanamid Company (US) 2002-01-16 EP disclosed
WO-2000066583-A1 SUBSTITUTED 3-CYANO-[1.7], [1.5], AND [1.8]-NAPHTHYRIDINE INHIBITORS OF TYROSINE KINASES AMERICAN CYANAMID COMPANY (US) 2000-11-09 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 (2 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 EGFR 2871/4885ERBB2 1101/4885GAK 345/4885
US-20020165229-A1 Substituted 3-cyano-[1.7], [1.5], and [1.8] naphthyridine inhibitors of tyrosine kinases ABL1, ROS1, ALK EGFR 14/4885ERBB2 4/4885GAK 354/4885

“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.