SCHEMBL4173247

SCHEMBL4173247

FC(F)(F)c1cccc(-c2nnc(-c3cccnc3N(CC3=COCO3)Cc3ccccc3)[nH]2)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
SCN2A Q99250 2/20 0.34
CXCR2 P25025 1/20 0.34
CNR2 P34972 7/20 0.34
CNR1 P21554 3/20 0.34
KDR P35968 2/20 0.34
NPY5R Q15761 1/20 0.32
MAPK14 Q16539 1/20 0.32
PTAFR P25105 1/20 0.32

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
SCHEMBL4179120 0.91 SCN2A (0.33) SCN2ACXCR2MAPK14
SCHEMBL4174808 0.89 HPGDS (0.31)
SCHEMBL4181162 0.88 CXCR2 (0.36) HRH1HRH4SCN2ACXCR2CNR2
SCHEMBL4174291 0.85 CSF1R (0.38) CNR2CNR1NPY5R
SCHEMBL4173820 0.84 AGTR1 (0.31)
SCHEMBL4181577 0.82 NOS1 (0.39) PTAFR
SCHEMBL4173252 0.79 PTGS2 (0.37)
SCHEMBL4176751 0.78 NR3C1 (0.34) SCN2ACXCR2MAPK14
SCHEMBL4168885 0.76 MMP1 (0.35)
SCHEMBL4185707 0.76 NR3C1 (0.38)

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 HRH1 3171/4885HRH4 2998/4885SCN2A 4565/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL HRH1 3171/4885HRH4 2998/4885SCN2A 4565/4885

“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.