SCHEMBL7945745

SCHEMBL7945745

CBc1ncc(CO)c(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDXK O00764 3/20 0.42
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AOX1 Q06278 1/20 0.31
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 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
SCHEMBL15211577 0.75 PDXK (0.46) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16580713 0.74 PDXK (0.48) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1355444 0.72 MEN1 (0.46) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL23269419 0.67 PDXK (0.42) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7934947 0.67 CYP1A2 (0.39) KDM4EALDH1A1MEN1KMT2A
SCHEMBL7934952 0.66 KDM4E (0.39) KDM4EALDH1A1LMNA
SCHEMBL4464836 0.64 KMT2A (0.46) PDXKALDH1A1HPGDLMNAMEN1
SCHEMBL21713021 0.63 KDM4E (0.46) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30500628 0.63 PDXK (0.50) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16177071 0.63 PDXK (0.50) PDXKKDM4EALDH1A1HPGDHSD17B10

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-7589088-B2 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-15 US disclosed
US-20060142576-A1 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-06-29 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-20060142576-A1 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP9, DPP3 PDXK 17/4885KDM4E 917/4885ALDH1A1 763/4885

“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.