SCHEMBL4174283

SCHEMBL4174283

COc1ccc(CNc2ncccc2-c2nnc(N(C3=CC=CCC3)C3=COC=CO3)o2)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 13/20 0.37
TUBB P07437 13/20 0.37
TUBA3C P0DPH7 13/20 0.37
TUBA1B P68363 13/20 0.37
TUBA4A P68366 13/20 0.37
TUBB4B P68371 13/20 0.37
TUBB3 Q13509 13/20 0.37
TUBB2A Q13885 13/20 0.37
TUBB8 Q3ZCM7 13/20 0.37
TUBA3E Q6PEY2 13/20 0.37
TUBA1A Q71U36 13/20 0.37
TUBA1C Q9BQE3 13/20 0.37
TUBB6 Q9BUF5 13/20 0.37
TUBB2B Q9BVA1 13/20 0.37
TUBB1 Q9H4B7 13/20 0.37
KDR P35968 7/20 0.34
FLT1 P17948 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PIK3CD O00329 1/20 0.32

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
SCHEMBL4171147 0.91 TUBB4A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4169670 0.91 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4174929 0.88 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4167566 0.87 CDC7 (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4179190 0.87 TUBB4A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4171270 0.87 KDR (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4172655 0.87 TUBB4A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4180609 0.86 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4180603 0.84 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4175531 0.83 TUBB4A (0.42) 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 3 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
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.