SCHEMBL4175476

SCHEMBL4175476

COCCCOc1ccccc1-c1cnc(Nc2cccc(OC)c2)o1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.54
IMPDH2 P12268 11/20 0.53
KDR P35968 5/20 0.51
FLT1 P17948 4/20 0.51
FLT4 P35916 4/20 0.51
RPS6KA2 Q15349 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4169759 0.82 VCP (0.53) VCPIMPDH2KDRFLT1FLT4
SCHEMBL13605799 0.81 VCP (0.60) VCPIMPDH2KDRFLT1FLT4
SCHEMBL4188112 0.81 KDR (0.56) VCPIMPDH2KDRFLT1FLT4
SCHEMBL4173774 0.81 HTR1A (0.54) VCPIMPDH2KDRFLT1FLT4
Hydrochloric Acid SCHEMBL4181141 0.80 VCP (0.58) VCPIMPDH2KDRFLT1FLT4
SCHEMBL4181132 0.77 MEN1 (0.60) VCPIMPDH2KDRFLT1FLT4
SCHEMBL4175646 0.76 KDR (0.54) VCPIMPDH2KDRFLT1FLT4
SCHEMBL5477528 0.73 VCP (0.80) VCPIMPDH2KDRFLT1FLT4
SCHEMBL6182372 0.73 VCP (0.46) VCPIMPDH2KDRFLT1FLT4
SCHEMBL13612941 0.73 VCP (0.50) VCPIMPDH2KDRFLT1FLT4

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 7 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
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 VCP 1689/4885IMPDH2 1793/4885KDR 3284/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL VCP 1689/4885IMPDH2 1793/4885KDR 3284/4885

“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.