Sugi Predict

Sugi Predict / Compounds / SCHEMBL4174883

SCHEMBL4174883

SCHEMBL4174883

c1ccc(-c2nnc(Nc3ccc4c(c3)OCO4)[nH]2)c(NCc2ccc3[nH]ncc3c2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 13/20 0.69
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ FYN P06241 1/20 0.40
▸ FLT1 P17948 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39
▸ TUBA4A P68366 1/20 0.39
▸ TUBB4B P68371 1/20 0.39
▸ TUBB3 Q13509 1/20 0.39
▸ TUBB2A Q13885 1/20 0.39
▸ TUBB8 Q3ZCM7 1/20 0.39
▸ TUBA3E Q6PEY2 1/20 0.39
▸ TUBA1A Q71U36 1/20 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
SCHEMBL4177098 0.95 KDR (0.76) KDRMEN1KMT2AFLT1TUBB4A
SCHEMBL4181410 0.83 KDR (0.47) KDRMEN1KMT2ANPC1LMNA
SCHEMBL4173256 0.82 KDR (0.66) KDRMEN1KMT2ARAB9AFYN
SCHEMBL4188190 0.81 KDR (0.50) KDRNPC1RAB9AFYNFLT1
SCHEMBL4174835 0.78 KDR (0.78) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4185165 0.77 KDR (0.70) KDRMEN1KMT2ATUBB4ATUBB
SCHEMBL4173372 0.75 TUBB4A (0.63) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4175521 0.73 TUBB4A (0.68) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4173085 0.73 KDR (0.50) KDRMEN1KMT2AFLT1
SCHEMBL4177106 0.72 KDR (0.44) KDRFLT1JAK3IRAK4

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 KDR 3284/4885MEN1 543/4885KMT2A 2240/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL KDR 3284/4885MEN1 543/4885KMT2A 2240/4885

“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.