SCHEMBL1408253

SCHEMBL1408253

CCOC(=O)c1cnc2nc(C)c(CO)c(-c3ccc(Cl)cc3Cl)n12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.55
DPP8 Q6V1X1 5/20 0.55
DPP9 Q86TI2 4/20 0.55
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
IDO1 P14902 1/20 0.45
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EGFR P00533 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL1408229 0.91 DPP4 (0.66) DPP4DPP8DPP9
SCHEMBL13605001 0.86 DPP4 (0.49) DPP4DPP8DPP9MAPTKDM4E
SCHEMBL8260658 0.83 DPP4 (0.47) DPP4DPP8DPP9MAPTKDM4E
SCHEMBL1408080 0.79 DPP4 (0.84) DPP4DPP8DPP9
SCHEMBL13604999 0.78 IDO1 (0.45) DPP4DPP8DPP9MAPTKDM4E
SCHEMBL1408319 0.71 DPP4 (0.84) DPP4DPP8DPP9
SCHEMBL1408081 0.71 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL8257582 0.70 DPP4 (0.79) DPP4DPP8DPP9
SCHEMBL14800515 0.69 MAPT (0.50) DPP4DPP8DPP9MAPTKDM4E
SCHEMBL1913168 0.67 MAPT (0.44) DPP4DPP8DPP9MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836206-B1 AZOLOPYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2011-03-09 EP disclosed
US-7635699-B2 Azolopyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-22 US disclosed
US-7635699-B2 Azolopyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-22 US disclosed
US-7635699-B2 Azolopyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-22 US disclosed
EP-1836206-A1 AZOLOPYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS Bristol-Myers Squibb Company (US) 2007-09-26 EP disclosed
US-20060178377-A1 Azolopyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-08-10 US disclosed
WO-2006071752-A1 AZOLOPYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-06 WO disclosed
WO-2006071752-A1 AZOLOPYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-06 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 (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-20060178377-A1 Azolopyrimidine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP9, DPP3 DPP4 1/4885DPP8 4/4885DPP9 2/4885

“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.