SCHEMBL4769765

SCHEMBL4769765

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.42
EGFR P00533 4/20 0.42
ERBB2 P04626 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ACP1 P24666 2/20 0.37
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
CDK4 P11802 1/20 0.34
CCND3 P30281 1/20 0.34
ALK Q9UM73 1/20 0.33
MAPKAPK2 P49137 2/20 0.33
CDK1 P06493 1/20 0.33
KDR P35968 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
SCHEMBL4776048 0.90 NPC1 (0.41) EGFRERBB2ACP1NPC1RAB9A
SCHEMBL4775748 0.88 MAPKAPK2 (0.45) SLC2A1EGFRACP1PTGS1PTGS2
SCHEMBL4767004 0.88 ABCG2 (0.43) EGFRKDM4EALDH1A1ACP1MEN1
SCHEMBL4776121 0.85 KCNQ3 (0.39) EGFRERBB2PTGS2ABCB1ABCG2
SCHEMBL4769773 0.82 MAP2K1 (0.44) ALDH1A1ACP1ABCB1ABCG2MAPKAPK2
SCHEMBL4766924 0.82 ABCB1 (0.39) KDM4EALDH1A1ACP1ABCB1ABCG2
SCHEMBL4777976 0.80 FADS1 (0.43) EGFRERBB2PTGS1PTGS2SYK
SCHEMBL4767045 0.76 MAP2K1 (0.46) EGFRERBB2ACP1ABCB1ABCG2
SCHEMBL4775832 0.75 EGFR (0.64) EGFRERBB2
SCHEMBL4768795 0.71 CYP11B2 (0.38) KDM4EALDH1A1

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 SLC2A1 4126/4885EGFR 2871/4885ERBB2 1101/4885

“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.