Sugi Predict

Sugi Predict / Compounds / SCHEMBL4176759

SCHEMBL4176759

SCHEMBL4176759

FC(F)(F)Oc1cccc(-c2nnc(-c3ccccc3NCc3ccc4[nH]cnc4c3)[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.41
▸ FLT1 P17948 2/20 0.41
▸ KDM5A P29375 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37
▸ PIM1 P11309 5/20 0.36
▸ SYK P43405 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ NPY5R Q15761 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ XDH P47989 1/20 0.33

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
SCHEMBL4173786 0.89 CLK4 (0.40) KDRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4188197 0.80 MEN1 (0.47) KDRFLT1KDM5AKDM4CKDM5B
SCHEMBL4169643 0.80 KDR (0.42) KDRFLT1KDM5AKDM4CKDM5B
SCHEMBL4185704 0.80 USP1 (0.46) KDRFLT1PIM1CYP1A2CYP3A4
SCHEMBL4165947 0.80 KDR (0.37) KDRPIM1CYP3A4PIM3
SCHEMBL20522367 0.74 QPCTL (0.45) KDRKDM4CACP1
SCHEMBL29551444 0.74 QPCTL (0.45) KDRKDM4CACP1
SCHEMBL29550580 0.72 QPCT (0.47) KDRGRM2
SCHEMBL20522432 0.72 QPCT (0.47) KDRGRM2
SCHEMBL22712388 0.72 ACP1 (0.46) KDRACP1

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 3408/4885KDM5A 2176/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL KDR 3284/4885FLT1 3408/4885KDM5A 2176/4885

“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.