SCHEMBL4173774

SCHEMBL4173774

COc1cccc(Nc2ncc(-c3ccccc3OCc3cccnc3)o2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.54
DRD2 P14416 1/20 0.54
VCP P55072 2/20 0.52
IMPDH2 P12268 6/20 0.51
SGMS2 Q8NHU3 2/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LRRK2 Q5S007 1/20 0.47
KDR P35968 5/20 0.47
FLT1 P17948 4/20 0.47
FLT4 P35916 3/20 0.47
DGAT1 O75907 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 0.90 VCP (0.53) VCPIMPDH2SGMS2KDRFLT1
SCHEMBL4177933 0.81 TUBB4A (0.56) VCPIMPDH2KDR
SCHEMBL4175476 0.81 VCP (0.54) VCPIMPDH2MEN1KMT2AKDR
SCHEMBL4188112 0.77 KDR (0.56) VCPIMPDH2MEN1KMT2AKDR
SCHEMBL13605799 0.77 VCP (0.60) VCPIMPDH2MEN1KMT2AKDR
Hydrochloric Acid SCHEMBL4181141 0.76 VCP (0.58) VCPIMPDH2MEN1KMT2AKDR
SCHEMBL1475772 0.76 IMPDH2 (0.82) IMPDH2
SCHEMBL4175646 0.74 KDR (0.54) VCPIMPDH2KDRFLT1FLT4
SCHEMBL13612941 0.73 VCP (0.50) VCPIMPDH2MEN1KMT2AKDR
SCHEMBL4181132 0.73 MEN1 (0.60) VCPIMPDH2MEN1KMT2AKDR

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 HTR1A 3975/4885DRD2 4600/4885VCP 1689/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL HTR1A 3975/4885DRD2 4600/4885VCP 1689/4885

“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.