SCHEMBL1408151

SCHEMBL1408151

NCc1ncc2nccc-2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 7/20 0.37
LOX P28300 3/20 0.33
LOXL3 P58215 1/20 0.33
ROCK1 Q13464 1/20 0.33
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL5260623 0.82 PDE10A (0.33) PDE10A
SCHEMBL7245878 0.78 PDE10A (0.37) PDE10A
SCHEMBL28876365 0.77
SCHEMBL18756747 0.71
SCHEMBL127415 0.69 MAPT (0.36)
SCHEMBL129499 0.69 NPY5R (0.31)
SCHEMBL128068 0.69 CDK5 (0.32)
SCHEMBL3644139 0.69 NPY5R (0.31)
SCHEMBL3858640 0.69 CYP2A6 (0.47)
SCHEMBL28393579 0.69 MAPT (0.36)

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 5 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
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

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 LOXL2 3266/4885LOX 667/4885LOXL3 2882/4885

“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.