SCHEMBL4776048

SCHEMBL4776048

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
CDC7 O00311 1/20 0.39
ACP1 P24666 3/20 0.38
GRM2 Q14416 1/20 0.37
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
MAPT P10636 2/20 0.36
AURKA O14965 1/20 0.35
KCNH3 Q9ULD8 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
SYK P43405 1/20 0.34
DHODH Q02127 1/20 0.34
MAPKAPK2 P49137 2/20 0.34
POLB P06746 1/20 0.33
RAD52 P43351 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
SCHEMBL4775748 0.90 MAPKAPK2 (0.45) EGFRACP1ABCB1ABCG2MAPT
SCHEMBL4767004 0.90 ABCG2 (0.43) EGFRCDC7ACP1ABCB1ABCG2
SCHEMBL4769765 0.90 SLC2A1 (0.42) NPC1RAB9AEGFRERBB2ACP1
SCHEMBL4776121 0.87 KCNQ3 (0.39) EGFRERBB2ABCB1ABCG2MAPT
SCHEMBL4766924 0.85 ABCB1 (0.39) CDC7ACP1ABCB1ABCG2
SCHEMBL4769773 0.85 MAP2K1 (0.44) ACP1GRM2ABCB1ABCG2MAPT
SCHEMBL4777976 0.82 FADS1 (0.43) EGFRERBB2PTGS1PTGS2SYK
SCHEMBL4767045 0.81 MAP2K1 (0.46) EGFRERBB2ACP1ABCB1ABCG2
SCHEMBL19610527 0.76 CYP1A2 (0.43) ACP1GRM2ABCB1ABCG2PTGS1
SCHEMBL4776688 0.74 EGFR (0.67) EGFRERBB2

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 NPC1 3305/4885RAB9A 3616/4885EGFR 2871/4885

“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.