Sugi Predict

Sugi Predict / Compounds / SCHEMBL4523015

SCHEMBL4523015

SCHEMBL4523015

FC(F)(F)c1cccc(-c2nnc(-c3cccnc3NCc3ccncc3)[nH]2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.72
▸ FLT1 P17948 4/20 0.46
▸ VNN1 O95497 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ EPHB4 P54760 5/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ EGFR P00533 2/20 0.43
▸ PDGFRB P09619 2/20 0.43
▸ FLT4 P35916 2/20 0.43
▸ PRKCB P05771 1/20 0.43
▸ INSR P06213 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ LYN P07948 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ PRKCA P17252 1/20 0.43
▸ FGFR4 P22455 1/20 0.43

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
SCHEMBL4173239 0.83 KDR (0.52) KDRFLT1KDM4EALDH1A1GAA
SCHEMBL4177023 0.83 KDR (0.52) KDRKDM4EALDH1A1GAAHPGD
SCHEMBL4182606 0.82 CYP1A2 (0.52) KDRALDH1A1HPGDEPHB4DYRK1A
SCHEMBL4181708 0.80 CYP3A4 (0.50) KDRVNN1ALDH1A1HPGD
SCHEMBL4185715 0.77 CYP1A2 (0.49) KDRFLT1VNN1KDM4EALDH1A1
SCHEMBL4179115 0.75 KDR (0.55) KDRFLT1KDM4EALDH1A1HPGD
SCHEMBL4523019 0.74 NPY5R (0.42) KDRKDM4EALDH1A1HPGDHRH1
Hydrochloric Acid SCHEMBL448201 0.72 KDR (0.65) KDRFLT1ALDH1A1HPGDABL1
SCHEMBL4167692 0.72 CLK4 (0.50) ALDH1A1HPGDSYKCLK1DYRK1A
SCHEMBL4172627 0.72 CYP1A2 (0.66) ALDH1A1HPGD

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 6 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-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 — — US disclosed
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
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 3284/4885FLT1 3408/4885VNN1 2423/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL KDR 3284/4885FLT1 3408/4885VNN1 2423/4885

“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.