SCHEMBL6468982

SCHEMBL6468982

CCCCNCc1cnc(C(N)=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.41
TLR7 Q9NYK1 4/20 0.41
IL6 P05231 3/20 0.41
EPHX2 P34913 1/20 0.40
HCAR3 P49019 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 3/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6468944 0.81 SIRT6 (0.44) SIRT6TSHRKMT2AOPRM1OPRD1
SCHEMBL5132527 0.81 SIRT6 (0.41) SIRT6TSHRMEN1KMT2AL3MBTL1
SCHEMBL6470753 0.79 SIRT6 (0.40) SIRT6TSHRALDH1A1OPRM1OPRD1
SCHEMBL6468988 0.78 TLR7 (0.44) TLR7IL6TSHRMEN1CYP1A2
SCHEMBL30874231 0.77 SIRT6 (0.49) SIRT6TLR7IL6TSHRKMT2A
SCHEMBL6468945 0.77 SIRT6 (0.42) SIRT6HCAR3LMNATSHRMEN1
SCHEMBL29684052 0.75 SIRT6 (0.50) SIRT6HCAR3LMNAKDM4ETSHR
SCHEMBL5134062 0.73 OPRM1 (0.52) SIRT6KDM4EOPRM1OPRD1OPRK1
SCHEMBL5042470 0.70 HCAR3 (0.46) SIRT6HCAR3LMNAKDM4ETSHR
SCHEMBL2635320 0.70 SIRT6 (0.73) SIRT6LMNAKDM4ETSHRALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US 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 (1 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA SIRT6 750/4885TLR7 4213/4885IL6 1079/4885

“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.