SCHEMBL4742854

SCHEMBL4742854

COc1cc2ncc(C#N)c(C)c2cc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.62
▸ SRC P12931 5/20 0.62
▸ KDR P35968 2/20 0.62
▸ MAP2K1 Q02750 6/20 0.58
▸ RAF1 P04049 2/20 0.51
▸ ERBB2 P04626 8/20 0.50
▸ PDGFRB P09619 1/20 0.50
▸ PDGFRA P16234 1/20 0.50
▸ ABL1 P00519 1/20 0.49
▸ FLT1 P17948 1/20 0.49
▸ SYK P43405 1/20 0.49

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
SCHEMBL4742038 1.00 EGFR (0.62) EGFRSRCKDRMAP2K1RAF1
SCHEMBL4745310 0.89 RET (0.54) EGFRSRCKDRMAP2K1ERBB2
SCHEMBL1893862 0.87 EGFR (0.61) EGFRSRCKDRMAP2K1RAF1
SCHEMBL1893875 0.87 SRC (0.61) EGFRSRCKDRMAP2K1RAF1
SCHEMBL15263519 0.87 SRC (0.61) EGFRSRCKDRMAP2K1RAF1
SCHEMBL15265722 0.87 EGFR (0.61) EGFRSRCKDRMAP2K1RAF1
SCHEMBL4743752 0.85 SRC (0.62) EGFRSRCMAP2K1ERBB2
SCHEMBL14004806 0.82 SRC (0.54) EGFRSRCMAP2K1ERBB2
SCHEMBL4741505 0.81 SRC (0.64) EGFRSRCKDRERBB2ABL1
SCHEMBL4744333 0.80 EGFR (0.54) EGFRSRCKDRMAP2K1RAF1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 — — US disclosed
WO-2008109613-A1 BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS WYETH (US) 2008-09-12 — — 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 EGFR 3929/4885SRC 1453/4885KDR 3906/4885

“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.

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