SCHEMBL4169643

SCHEMBL4169643

FC(F)(F)Oc1cccc(-c2nnc(-c3ccccc3NCc3ccc4c(c3)OCCO4)[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.42
FLT1 P17948 2/20 0.42
PIM1 P11309 3/20 0.40
USP1 O94782 2/20 0.40
WDR48 Q8TAF3 2/20 0.40
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
PIM2 Q9P1W9 2/20 0.37
CLK4 Q9HAZ1 1/20 0.36
CETP P11597 1/20 0.36

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
SCHEMBL4185704 0.95 USP1 (0.46) KDRFLT1PIM1USP1WDR48
SCHEMBL4188204 0.86 KDR (0.44) KDRFLT1USP1WDR48
SCHEMBL4174943 0.83 CLK4 (0.53) ALDH1A1RAB9ACLK4
SCHEMBL4172244 0.83 KDR (0.47) KDRFLT1USP1WDR48RAB9A
SCHEMBL4181158 0.81 USP1 (0.49) KDRFLT1USP1WDR48ALDH1A1
SCHEMBL4188197 0.81 MEN1 (0.47) KDRFLT1PIM1KDM5AKDM4C
SCHEMBL4176759 0.80 KDR (0.41) KDRFLT1PIM1KDM5AKDM4C
SCHEMBL4176749 0.77 USP1 (0.49) KDRUSP1WDR48ALDH1A1RAB9A
SCHEMBL4170851 0.71 ABCB1 (0.52) ALDH1A1CLK4
SCHEMBL4185705 0.71 DYRK1A (0.40) PIM1ALDH1A1RAB9APIM2

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 7 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
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 3408/4885PIM1 980/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL KDR 3284/4885FLT1 3408/4885PIM1 980/4885

“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.