SCHEMBL4185559

SCHEMBL4185559

COc1cc(CNc2cc(N3CCN(C)CC3)ccc2-c2nnc(Nc3ccc4c(c3)OCCO4)o2)cc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 16/20 0.54
TUBB P07437 16/20 0.54
TUBA3C P0DPH7 16/20 0.54
TUBA1B P68363 16/20 0.54
TUBA4A P68366 16/20 0.54
TUBB4B P68371 16/20 0.54
TUBB3 Q13509 16/20 0.54
TUBB2A Q13885 16/20 0.54
TUBB8 Q3ZCM7 16/20 0.54
TUBA3E Q6PEY2 16/20 0.54
TUBA1A Q71U36 16/20 0.54
TUBA1C Q9BQE3 16/20 0.54
TUBB6 Q9BUF5 16/20 0.54
TUBB2B Q9BVA1 16/20 0.54
TUBB1 Q9H4B7 16/20 0.54
KDR P35968 6/20 0.53

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
SCHEMBL13950183 0.95 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4173428 0.84 KDR (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4169664 0.76 BRD4 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4185580 0.74 HTR6 (0.36) KDR
SCHEMBL4181451 0.72 TUBB4A (0.79) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4532299 0.71 KDR (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4172628 0.71 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4171138 0.70 TUBB4A (0.84) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4181099 0.70 KDR (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4169660 0.70 TUBB4A (1.00) 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
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 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.