SCHEMBL4174847

SCHEMBL4174847

CCOC(=O)c1cccnc1NCc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HTT P42858 1/20 0.55
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
SLC26A6 Q9BXS9 2/20 0.52
PDE4B Q07343 1/20 0.52
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
PDPK1 O15530 1/20 0.51
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
PPIA P62937 1/20 0.49
KDR P35968 3/20 0.48

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
SCHEMBL2087990 0.89 HTT (0.65) MAPTKDM4EHTTLMNAPOLB
SCHEMBL18071001 0.89 MAPT (0.65) MAPTKDM4EALDH1A1GAAPDPK1
SCHEMBL28236466 0.88 KDR (0.62) MAPTHTTRAB9ANPSR1KDR
SCHEMBL15636229 0.87 SLC26A6 (0.56) MAPTKDM4EHTTPOLBSLC26A6
SCHEMBL4171211 0.87 HTT (0.52) MAPTKDM4EHTTRAB9ANPSR1
SCHEMBL2087947 0.86 HTT (0.56) MAPTKDM4EHTTLMNARAB9A
SCHEMBL12478898 0.82 DHODH (0.65) MAPTKDM4EHTTNPC1LMNA
SCHEMBL18070888 0.82 AGTR1 (0.61) MAPTKDM4EHTTLMNAPOLB
SCHEMBL1715643 0.82 DHODH (0.63) MAPTKDM4EALDH1A1GAAPDPK1
SCHEMBL28137220 0.82 HTT (0.65) MAPTKDM4EHTTNPC1RAB9A

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 MAPT 3261/4885KDM4E 2144/4885HTT 108/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL MAPT 3261/4885KDM4E 2144/4885HTT 108/4885

“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.