SCHEMBL4174895

SCHEMBL4174895

C1=C(N(Cc2ccccc2)c2nnc(-c3ccccc3NCc3ccc4[nH]ncc4c3)[nH]2)OCO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.48
FLT1 P17948 3/20 0.38
CDK2 P24941 3/20 0.38
CDC7 O00311 1/20 0.38
CCNE1 P24864 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
ROCK2 O75116 6/20 0.36
ROCK1 Q13464 5/20 0.36
MAPK1 P28482 4/20 0.34
GSK3B P49841 3/20 0.34
PRKACA P17612 2/20 0.34
RPS6KB1 P23443 2/20 0.34
GSK3A P49840 2/20 0.34
DYRK1A Q13627 2/20 0.34
AURKB Q96GD4 2/20 0.34
CLK2 P49760 1/20 0.34
PRKX P51817 1/20 0.34
PKN2 Q16513 1/20 0.34
BRSK1 Q8TDC3 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL4181413 0.84 QPCT (0.33) KDR
SCHEMBL4173263 0.82 KDR (0.40) KDRFLT1
SCHEMBL4180846 0.74 TUBB4A (0.43) KDRDYRK1ACLK4
SCHEMBL4174196 0.73 KDM4E (0.37) KDRCLK4
SCHEMBL4178551 0.73 KDR (0.36) KDRFLT1FLT4
SCHEMBL4181723 0.73 CYP1A2 (0.42) KDRMAPK1DYRK1ACLK4
SCHEMBL4170614 0.72 KDR (0.43) KDRMAPK1CLK4
SCHEMBL4174883 0.72 KDR (0.69) KDRFLT1JAK3IRAK4
SCHEMBL4178025 0.71 TUBB4A (0.38) KDRGSK3BRPS6KB1AURKA
SCHEMBL4173085 0.71 KDR (0.50) KDRFLT1CDK2CDC7CCNE1

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 3284/4885FLT1 3408/4885CDK2 53/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL KDR 3284/4885FLT1 3408/4885CDK2 53/4885

“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.