SCHEMBL4745196

SCHEMBL4745196

COC(=O)c1cncc(OC[C@H](Cc2ccc(F)cc2)NC(=O)OC(C)(C)C)c1.COc1cc2ncc(C#N)c(C)c2cc1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.39
KDR P35968 2/20 0.39
SRC P12931 1/20 0.39
PTPN1 P18031 1/20 0.38
MAP2K1 Q02750 2/20 0.37
ENPP1 P22413 1/20 0.37
PDPK1 O15530 4/20 0.36
RPS6KB1 P23443 4/20 0.36
AKT1 P31749 4/20 0.36
ERBB2 P04626 2/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
TLR9 Q9NR96 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL4784596 0.80 CTSS (0.46) CTSSCTSKHDAC3HDAC4HDAC1
SCHEMBL4784587 0.80 CTSS (0.46) CTSSCTSKHDAC3HDAC4HDAC1
SCHEMBL4745113 0.73 CTSS (0.48) RPS6KB1AKT1CTSSCTSK
SCHEMBL4745115 0.73 CTSS (0.48) RPS6KB1AKT1CTSSCTSK
SCHEMBL4742854 0.72 EGFR (0.62) EGFRKDRSRCMAP2K1ERBB2
SCHEMBL4742038 0.72 EGFR (0.62) EGFRKDRSRCMAP2K1ERBB2
SCHEMBL4743596 0.70 CTSL (0.49) KDRPDPK1RPS6KB1AKT1CTSS
SCHEMBL4743594 0.70 CTSL (0.49) KDRPDPK1RPS6KB1AKT1CTSS
SCHEMBL14068432 0.70 ATM (0.54) CTSSCTSK
SCHEMBL14030166 0.69 ATM (0.53) CTSSCTSK

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.