SCHEMBL4174808

SCHEMBL4174808

Fc1cccc(-c2nnc(-c3cccnc3N(CC3=COCO3)Cc3ccccc3)[nH]2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.31
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30
CDC7 O00311 1/20 0.30
ROCK2 O75116 1/20 0.30
MAP4K4 O95819 1/20 0.30
PIM1 P11309 1/20 0.30
PRKACA P17612 1/20 0.30
CDK2 P24941 1/20 0.30
GSK3B P49841 1/20 0.30
HIPK2 Q9H2X6 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL4173247 0.89 HRH1 (0.35)
SCHEMBL4174291 0.87 CSF1R (0.38) CLK4
SCHEMBL4173820 0.87 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL4179120 0.84 SCN2A (0.33) AGTR1AGTR2
SCHEMBL4181577 0.84 NOS1 (0.39) HPGDSAGTR1AGTR2
SCHEMBL4173252 0.81 PTGS2 (0.37) AGTR1AGTR2
SCHEMBL4168885 0.81 MMP1 (0.35)
SCHEMBL4181162 0.77 CXCR2 (0.36)
SCHEMBL4173348 0.76 MEN1 (0.36)
SCHEMBL4176947 0.76 TUBB4A (0.35)

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 HPGDS 69/4885AGTR1 4387/4885AGTR2 4415/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL HPGDS 69/4885AGTR1 4387/4885AGTR2 4415/4885

“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.