Sugi Predict

Sugi Predict / Compounds / SCHEMBL4173389

SCHEMBL4173389

SCHEMBL4173389

c1ccc(-c2nnc(Nc3ccc4c(c3)OCO4)o2)c(NCc2ccncc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 1.00
▸ TUBB4A P04350 13/20 0.76
▸ TUBB P07437 13/20 0.76
▸ TUBA3C P0DPH7 13/20 0.76
▸ TUBA1B P68363 13/20 0.76
▸ TUBA4A P68366 13/20 0.76
▸ TUBB4B P68371 13/20 0.76
▸ TUBB3 Q13509 13/20 0.76
▸ TUBB2A Q13885 13/20 0.76
▸ TUBB8 Q3ZCM7 13/20 0.76
▸ TUBA3E Q6PEY2 13/20 0.76
▸ TUBA1A Q71U36 13/20 0.76
▸ TUBA1C Q9BQE3 13/20 0.76
▸ TUBB6 Q9BUF5 13/20 0.76
▸ TUBB2B Q9BVA1 13/20 0.76
▸ TUBB1 Q9H4B7 13/20 0.76
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ MAPT P10636 1/20 0.57

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
SCHEMBL4163521 0.94 KDR (1.00) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4178999 0.88 KDR (0.79) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4169603 0.85 KDR (0.74) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4181000 0.84 KDR (0.81) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4184439 0.83 KDR (0.81) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4171264 0.81 TUBB4A (1.00) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6256158 0.80 TUBB4A (0.83) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4532299 0.80 KDR (0.74) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4173256 0.80 KDR (0.66) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4174866 0.80 TUBB4A (1.00) KDRTUBB4ATUBBTUBA3CTUBA1B

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 3284/4885TUBB4A 777/4885TUBB 766/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL KDR 3284/4885TUBB4A 777/4885TUBB 766/4885

“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.