SCHEMBL4744907

SCHEMBL4744907

COc1cc2c(CC(=O)c3cccnc3)c(C#N)cnc2cc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.50
▸ KDR P35968 3/20 0.50
▸ SRC P12931 2/20 0.50
▸ PDPK1 O15530 1/20 0.50
▸ ABL1 P00519 2/20 0.46
▸ FLT1 P17948 2/20 0.46
▸ SYK P43405 1/20 0.46
▸ MAP2K1 Q02750 3/20 0.46
▸ XDH P47989 3/20 0.45
▸ ERBB2 P04626 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ IGF1R P08069 1/20 0.42

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
SCHEMBL4745771 0.85 LMNA (0.56) EGFRSRCPDPK1ERBB2LMNA
SCHEMBL15265722 0.77 EGFR (0.61) EGFRKDRSRCPDPK1ABL1
SCHEMBL1893862 0.77 EGFR (0.61) EGFRKDRSRCPDPK1ABL1
SCHEMBL4745310 0.77 RET (0.54) EGFRKDRSRCPDPK1ABL1
SCHEMBL4742854 0.76 EGFR (0.62) EGFRKDRSRCABL1FLT1
SCHEMBL4742038 0.76 EGFR (0.62) EGFRKDRSRCABL1FLT1
SCHEMBL15263519 0.75 SRC (0.61) EGFRKDRSRCABL1FLT1
SCHEMBL1893875 0.75 SRC (0.61) EGFRKDRSRCABL1FLT1
SCHEMBL4744333 0.75 EGFR (0.54) EGFRKDRSRCPDPK1MAP2K1
SCHEMBL2063734 0.73 MAP2K1 (0.68) EGFRKDRSRCMAP2K1ERBB2

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 3929/4885KDR 3906/4885SRC 1453/4885

“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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