Sugi Predict

Sugi Predict / Compounds / SCHEMBL4172244

SCHEMBL4172244

SCHEMBL4172244

FC(F)(F)c1ccc(-c2nnc(-c3ccccc3NCc3ccc4c(c3)OCCO4)[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 8/20 0.47
▸ USP1 O94782 2/20 0.43
▸ WDR48 Q8TAF3 2/20 0.43
▸ KCNH2 Q12809 2/20 0.39
▸ FLT1 P17948 1/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ AGTR2 P50052 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ TUBB4A P04350 2/20 0.37
▸ TUBB P07437 2/20 0.37
▸ TUBA3C P0DPH7 2/20 0.37
▸ TUBA1B P68363 2/20 0.37
▸ TUBA4A P68366 2/20 0.37
▸ TUBB4B P68371 2/20 0.37
▸ TUBB3 Q13509 2/20 0.37
▸ TUBB2A Q13885 2/20 0.37
▸ TUBB8 Q3ZCM7 2/20 0.37
▸ TUBA3E Q6PEY2 2/20 0.37
▸ TUBA1A Q71U36 2/20 0.37
▸ TUBA1C Q9BQE3 2/20 0.37

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
SCHEMBL4176749 0.94 USP1 (0.49) KDRUSP1WDR48MEN1NPC1
SCHEMBL4188204 0.91 KDR (0.44) KDRUSP1WDR48FLT1TUBB4A
SCHEMBL4181158 0.85 USP1 (0.49) KDRUSP1WDR48FLT1MEN1
SCHEMBL4169643 0.83 KDR (0.42) KDRUSP1WDR48FLT1RAB9A
SCHEMBL4179115 0.80 KDR (0.55) KDRUSP1WDR48FLT1TUBB4A
SCHEMBL13605669 0.79 ABCG2 (0.52) MEN1NPC1RAB9AKMT2A
SCHEMBL4178035 0.77 PDE5A (0.48) KDRMEN1NPC1LMNARAB9A
SCHEMBL4163261 0.77 MEN1 (0.49) KDRUSP1WDR48FLT1AGTR1
SCHEMBL4185704 0.77 USP1 (0.46) KDRUSP1WDR48FLT1MEN1
SCHEMBL4174943 0.74 CLK4 (0.53) MEN1NPC1LMNARAB9AKMT2A

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 8 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
WO-2005000855-A1 PROCESS FOR THE PREPARATION OF ATROPISOMERIC ANALOGUES OF 4-AMINOPYRIDINE IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2005-01-06 — — 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 3284/4885USP1 3860/4885WDR48 2765/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL KDR 3284/4885USP1 3860/4885WDR48 2765/4885

“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.