SCHEMBL4174803

SCHEMBL4174803

CN(c1ccc2c(c1)OCO2)c1ncccc1-c1nnc(-c2cccc(F)c2)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.37
EGFR P00533 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
MAPT P10636 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
TP53 P04637 2/20 0.35
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL4173246 0.88 CLK1 (0.39) KDREGFRPDGFRBPDGFRAMAPT
SCHEMBL4174287 0.87 MAPT (0.41) KDREGFRPDGFRBPDGFRAMAPT
SCHEMBL4173818 0.86 CLK4 (0.38) KDREGFRPDGFRBPDGFRAMAPT
SCHEMBL4179118 0.84 MAP2K4 (0.37) KDREGFRPDGFRBPDGFRAMAPT
SCHEMBL4181575 0.83 KIT (0.42) KDREGFRPDGFRBPDGFRAMAPT
SCHEMBL4173249 0.81 PTGS2 (0.42) KDREGFRPDGFRBPDGFRAKMT2A
SCHEMBL4168882 0.80 EGFR (0.35) KDREGFRPDGFRBPDGFRAMAPT
SCHEMBL4178012 0.77 FYN (0.41) KDREGFRPDGFRBPDGFRAMAPT
SCHEMBL4174800 0.75 KDR (0.51) KDRMAPTADRA2AADRA2BADRA2C
SCHEMBL4173346 0.74 TUBB4A (0.44) KDRMAPTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 US disclosed
WO-2005004818-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-20 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 (2 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-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS TP53, MCL1, VHL KDR 3284/4885EGFR 1090/4885PDGFRB 3202/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL KDR 3284/4885EGFR 1090/4885PDGFRB 3202/4885

“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.