SCHEMBL4448411

SCHEMBL4448411

COc1cc(Nc2nnc(-c3cccnc3N(C)c3ccco3)o2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
KDR P35968 4/20 0.45
FLT1 P17948 3/20 0.45
JAK2 O60674 4/20 0.42
JAK1 P23458 4/20 0.42
TYK2 P29597 3/20 0.42
JAK3 P52333 2/20 0.42
FLT4 P35916 1/20 0.39
RPS6KA2 Q15349 3/20 0.39
TUBB4A P04350 3/20 0.39
TUBB P07437 3/20 0.39
TUBA3C P0DPH7 3/20 0.39
TUBA1B P68363 3/20 0.39
TUBA4A P68366 3/20 0.39
TUBB4B P68371 3/20 0.39
TUBB3 Q13509 3/20 0.39
TUBB2A Q13885 3/20 0.39
TUBB8 Q3ZCM7 3/20 0.39
TUBA3E Q6PEY2 3/20 0.39
TUBA1A Q71U36 3/20 0.39

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
SCHEMBL4448403 0.77 TUBB4A (0.64) ACHEKDRFLT1TUBB4ATUBB
SCHEMBL4176983 0.71 KDR (0.52) ACHEKDRFLT1TUBB4ATUBB
SCHEMBL4180954 0.70 TUBB4A (0.70) ACHEKDRFLT1TUBB4ATUBB
SCHEMBL4169661 0.69 KDR (0.65) ACHEKDRFLT1TUBB4ATUBB
SCHEMBL4166024 0.69 TUBB4A (0.65) KDRFLT1TUBB4ATUBBTUBA3C
SCHEMBL4167666 0.66 KDR (0.60) ACHEKDRFLT1TUBB4ATUBB
SCHEMBL4178449 0.66 TUBB4A (0.60) ACHEKDRFLT1FLT4TUBB4A
SCHEMBL4182058 0.66 KDR (0.52) KDRFLT1TUBB4ATUBBTUBA3C
SCHEMBL4173406 0.64 KDR (0.57) ACHEKDRFLT1FLT4TUBB4A
SCHEMBL5200514 0.64 GAK (0.50) KDRFLT1JAK2FLT4

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 ACHE 2768/4885KDR 3284/4885FLT1 3408/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL ACHE 2768/4885KDR 3284/4885FLT1 3408/4885

“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.