SCHEMBL4181322

SCHEMBL4181322

NC(c1ccco1)c1ncccc1-c1nnc(Nc2ccc3c(c2)OCO3)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.44
TUBB4A P04350 10/20 0.43
TUBB P07437 10/20 0.43
TUBA3C P0DPH7 10/20 0.43
TUBA1B P68363 10/20 0.43
TUBA4A P68366 10/20 0.43
TUBB4B P68371 10/20 0.43
TUBB3 Q13509 10/20 0.43
TUBB2A Q13885 10/20 0.43
TUBB8 Q3ZCM7 10/20 0.43
TUBA3E Q6PEY2 10/20 0.43
TUBA1A Q71U36 10/20 0.43
TUBA1C Q9BQE3 10/20 0.43
TUBB6 Q9BUF5 10/20 0.43
TUBB2B Q9BVA1 10/20 0.43
TUBB1 Q9H4B7 10/20 0.43
ADRA2A P08913 1/20 0.41
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37
KDR P35968 3/20 0.37

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
SCHEMBL4173366 0.89 FYN (0.45) FYNTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4170604 0.87 FYN (0.44) FYNTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4181712 0.85 FYN (0.42) FYNTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4179136 0.80 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4181586 0.80 TUBB4A (0.55) FYNTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4185677 0.79 FYN (0.40) FYNTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4181327 0.78 TUBB4A (0.68) FYNTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4175522 0.75 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4175608 0.74 MEN1 (0.41) FYNTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4181118 0.74 TUBB4A (0.47) FYNTUBB4ATUBBTUBA3CTUBA1B

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 FYN 2776/4885TUBB4A 777/4885TUBB 766/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL FYN 2776/4885TUBB4A 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.