SCHEMBL4174845

SCHEMBL4174845

C1=CCCC(C2=COC=C(Nc3nnc(-c4ccccc4NCc4ccc5[nH]ncc5c4)o3)O2)=C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.45
CDC7 O00311 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
FLT1 P17948 2/20 0.35
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33
TUBB4B P68371 2/20 0.33
TUBB3 Q13509 2/20 0.33
TUBB2A Q13885 2/20 0.33
TUBB8 Q3ZCM7 2/20 0.33
TUBA3E Q6PEY2 2/20 0.33
TUBA1A Q71U36 2/20 0.33
TUBA1C Q9BQE3 2/20 0.33
TUBB6 Q9BUF5 2/20 0.33
TUBB2B Q9BVA1 2/20 0.33

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
SCHEMBL4182033 0.86 KDR (0.37) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4177106 0.86 KDR (0.44) KDRCDC7CCNE1CDK2DBF4
SCHEMBL4179188 0.85 KDR (0.46) KDRFLT1TUBB4ATUBBTUBA3C
SCHEMBL4184448 0.84 KDR (0.40) KDRCDC7CCNE1CDK2DBF4
SCHEMBL4163532 0.83 KDR (0.50) KDRCDC7CCNE1CDK2DBF4
SCHEMBL4181012 0.83 CDC7 (0.41) KDRCDC7CCNE1CDK2DBF4
SCHEMBL4173431 0.81 KDR (0.38) KDRFLT1TUBB4ATUBBTUBA3C
SCHEMBL6256167 0.80 TUBB4A (0.42) KDRCDC7CCNE1CDK2DBF4
SCHEMBL4174880 0.80 TUBB4A (0.51) KDRCDC7CCNE1CDK2DBF4
SCHEMBL4170925 0.79 TUBB4A (0.36) KDRCDC7CCNE1CDK2DBF4

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 2 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

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 3284/4885CDC7 407/4885CCNE1 221/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL KDR 3284/4885CDC7 407/4885CCNE1 221/4885

“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.