SCHEMBL1407673

SCHEMBL1407673

COC(=O)c1c(C)nc2nc(N3CCSCC3)nn2c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.66
DPP8 Q6V1X1 7/20 0.41
DPP9 Q86TI2 4/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CRHR1 P34998 1/20 0.36
ALPL P05186 1/20 0.36

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
SCHEMBL4464154 0.81 DPP4 (0.45) DPP4CNR1CNR2ALPL
SCHEMBL1408411 0.81 DPP4 (0.62) DPP4DPP8DPP9ALPL
SCHEMBL12809797 0.81 DPP4 (0.59) DPP4DPP8DPP9ALPL
SCHEMBL1407325 0.81 DPP4 (0.59) DPP4DPP8DPP9ALPL
SCHEMBL1407794 0.79 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL21981605 0.71 DPP4 (0.51) DPP4CNR1CRHR1ALPL
SCHEMBL13604975 0.71 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL1408214 0.71 DPP4 (0.63) DPP4DPP8DPP9
SCHEMBL13604989 0.69 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL1408016 0.69 DPP4 (1.00) DPP4DPP8DPP9

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 6 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
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

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.