SCHEMBL4745771

SCHEMBL4745771

CCOc1cc2ncc(C#N)c(CC(=O)c3cccnc3)c2cc1OCC

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ EGFR P00533 7/20 0.45
▸ ERBB2 P04626 6/20 0.45
▸ PDPK1 O15530 1/20 0.44
▸ STK4 Q13043 7/20 0.44
▸ SRC P12931 1/20 0.43
▸ IGF1R P08069 1/20 0.41

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
SCHEMBL4744907 0.85 EGFR (0.50) LMNAEGFRERBB2PDPK1SRC
SCHEMBL4744770 0.84 EGFR (0.45) LMNACYP1A2CYP3A4EGFRERBB2
SCHEMBL4745672 0.84 EGFR (0.51) EGFRERBB2STK4SRC
SCHEMBL6381507 0.69 EGFR (0.82) EGFRERBB2STK4
SCHEMBL4744821 0.69 EGFR (0.55) EGFRERBB2PDPK1STK4SRC
SCHEMBL4742017 0.68 SRC (0.59) EGFRERBB2STK4SRC
SCHEMBL24392117 0.66 SRC (0.56) EGFRERBB2SRC
SCHEMBL6383704 0.66 EGFR (0.78) EGFRERBB2STK4SRC
SCHEMBL6382054 0.65 STK4 (0.73) EGFRERBB2STK4SRC
SCHEMBL1132863 0.65 MKNK1 (0.52) LMNACYP1A2CYP3A4

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 LMNA 1422/4885CYP1A2 2557/4885CYP3A4 2962/4885

“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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