SCHEMBL4176956

SCHEMBL4176956

O=C1CCCN1CCCNc1ncccc1-c1nnc(Nc2ccc3c(c2)OCO3)o1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.62
TUBB4A P04350 19/20 0.61
TUBB P07437 19/20 0.61
TUBA3C P0DPH7 19/20 0.61
TUBA1B P68363 19/20 0.61
TUBA4A P68366 19/20 0.61
TUBB4B P68371 19/20 0.61
TUBB3 Q13509 19/20 0.61
TUBB2A Q13885 19/20 0.61
TUBB8 Q3ZCM7 19/20 0.61
TUBA3E Q6PEY2 19/20 0.61
TUBA1A Q71U36 19/20 0.61
TUBA1C Q9BQE3 19/20 0.61
TUBB6 Q9BUF5 19/20 0.61
TUBB2B Q9BVA1 19/20 0.61
TUBB1 Q9H4B7 19/20 0.61

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
SCHEMBL4175662 0.95 TUBB4A (0.63) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4508205 0.79 MEN1 (0.43) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4166010 0.78 TUBB4A (0.94) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4178972 0.77 KDR (1.00) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4168522 0.75 TUBB4A (1.00) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4179262 0.75 TUBB4A (1.00) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4177595 0.75 TUBB4A (1.00) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4180730 0.75 TUBB4A (0.90) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4173272 0.75 TUBB4A (1.00) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4179141 0.75 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 5 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
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.