Sugi Predict

Sugi Predict / Compounds / SCHEMBL4176937

SCHEMBL4176937

SCHEMBL4176937

COc1cc(Nc2nnc(-c3cccnc3NCc3ccc4c(c3)OCO4)[nH]2)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 12/20 0.56
▸ TUBB P07437 12/20 0.56
▸ TUBA3C P0DPH7 12/20 0.56
▸ TUBA1B P68363 12/20 0.56
▸ TUBA4A P68366 12/20 0.56
▸ TUBB4B P68371 12/20 0.56
▸ TUBB3 Q13509 12/20 0.56
▸ TUBB2A Q13885 12/20 0.56
▸ TUBB8 Q3ZCM7 12/20 0.56
▸ TUBA3E Q6PEY2 12/20 0.56
▸ TUBA1A Q71U36 12/20 0.56
▸ TUBA1C Q9BQE3 12/20 0.56
▸ TUBB6 Q9BUF5 12/20 0.56
▸ TUBB2B Q9BVA1 12/20 0.56
▸ TUBB1 Q9H4B7 12/20 0.56
▸ KDR P35968 4/20 0.51
▸ PDE5A O76074 4/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42

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
SCHEMBL4173341 0.93 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4179200 0.93 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4181311 0.92 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4173372 0.89 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4181703 0.88 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4180558 0.88 PDE5A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4175494 0.87 PDE5A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4181125 0.87 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4175521 0.86 TUBB4A (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4173413 0.85 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 — — US 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 TUBB4A 777/4885TUBB 766/4885TUBA3C 422/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL TUBB4A 777/4885TUBB 766/4885TUBA3C 422/4885

“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.