SCHEMBL4767045

SCHEMBL4767045

N#Cc1cc(Nc2cccc(Oc3ccccc3)c2)c2cc(F)ncc2n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 7/20 0.46
RAF1 P04049 6/20 0.46
ACP1 P24666 3/20 0.40
KDR P35968 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
PDGFRB P09619 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
ERBB2 P04626 1/20 0.38
CDK1 P06493 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
EGFR P00533 1/20 0.37
CDK8 P49336 1/20 0.37

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 0.85 ABCG2 (0.43) MAP2K1RAF1ACP1KDRHTT
SCHEMBL4777976 0.82 FADS1 (0.43) PDGFRBERBB2EGFR
SCHEMBL4776048 0.81 NPC1 (0.41) ACP1ABCB1ABCG2ERBB2EGFR
SCHEMBL4775895 0.79 MAP2K1 (0.70) MAP2K1RAF1ERBB2EGFR
SCHEMBL4776121 0.78 KCNQ3 (0.39) ABCB1ABCG2ERBB2EGFR
SCHEMBL4766924 0.78 ABCB1 (0.39) MAP2K1RAF1ACP1ABCB1ABCG2
SCHEMBL4769773 0.78 MAP2K1 (0.44) MAP2K1RAF1ACP1KDRABCB1
SCHEMBL4769765 0.76 SLC2A1 (0.42) ACP1KDRABCB1ABCG2ERBB2
SCHEMBL4775748 0.76 MAPKAPK2 (0.45) MAP2K1ACP1ABCB1ABCG2EGFR
SCHEMBL5948717 0.74 ERBB2 (0.66) MAP2K1RAF1KDRHTTPDGFRB

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 416/4885RAF1 160/4885ACP1 397/4885

“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.