SCHEMBL4766971

SCHEMBL4766971

COC(=O)c1cccc(Nc2c(C#N)cnc3cnc(F)cc23)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.62
ERBB2 P04626 14/20 0.62
PDE4B Q07343 1/20 0.52
GAK O14976 2/20 0.51
MAP3K8 P41279 1/20 0.49
RAF1 P04049 1/20 0.48
MAP2K1 Q02750 1/20 0.48

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
SCHEMBL4771836 0.88 EGFR (0.69) EGFRERBB2PDE4BGAKMAP3K8
SCHEMBL5125249 0.82 EGFR (0.69) EGFRERBB2PDE4BGAKMAP3K8
SCHEMBL4777245 0.81 EGFR (0.65) EGFRERBB2PDE4BGAKMAP3K8
SCHEMBL4772326 0.81 MAP3K8 (0.60) EGFRERBB2MAP3K8RAF1MAP2K1
SCHEMBL4775833 0.80 MAP2K1 (0.60) EGFRERBB2MAP3K8RAF1MAP2K1
SCHEMBL6643911 0.80 EGFR (0.70) EGFRERBB2GAK
SCHEMBL4767089 0.80 EGFR (0.66) EGFRERBB2MAP3K8
SCHEMBL4766881 0.80 EGFR (0.54) EGFRERBB2PDE4BGAKMAP3K8
SCHEMBL4766981 0.79 EGFR (0.69) EGFRERBB2PDE4BGAKMAP3K8
SCHEMBL4775895 0.78 MAP2K1 (0.70) EGFRERBB2PDE4BGAKMAP3K8

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 EGFR 2871/4885ERBB2 1101/4885PDE4B 889/4885

“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.