SCHEMBL1408091

SCHEMBL1408091

COc1ccccc1-c1c[nH]c(N)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.53
HSP90AB1 P08238 1/20 0.51
ALDH1A1 P00352 4/20 0.50
GAA P10253 2/20 0.50
METAP2 P50579 1/20 0.49
HSD17B10 Q99714 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
FGFR1 P11362 1/20 0.45
FGFR2 P21802 1/20 0.45
APP P05067 1/20 0.44
ADORA2A P29274 3/20 0.44
KDM4E B2RXH2 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44
PTPN1 P18031 1/20 0.44
ATP4A P20648 2/20 0.43
ATP4B P51164 2/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL4535219 0.83 IDO1 (0.49) HSP90AA1HSP90AB1HSD17B10MAPTALOX15
SCHEMBL16481851 0.81 HSP90AA1 (0.50) HSP90AA1HSP90AB1ALDH1A1GAAMETAP2
SCHEMBL9731133 0.81 DCUN1D1 (0.53) HSP90AA1HSP90AB1ALDH1A1GAAMETAP2
SCHEMBL9080888 0.78 ALPL (0.49) HSP90AA1HSP90AB1ALDH1A1GAAMETAP2
SCHEMBL6428111 0.77 IDO1 (0.44) HSP90AA1ALDH1A1GAAMETAP2HPGD
SCHEMBL3932920 0.76 PDGFRB (0.49) HSP90AA1ALDH1A1GAAMETAP2HSD17B10
SCHEMBL11046550 0.76 METAP2 (0.45) HSP90AA1HSP90AB1ALDH1A1GAAMETAP2
SCHEMBL8900342 0.74 HSP90AA1 (0.41) HSP90AA1HSP90AB1ALDH1A1GAAMETAP2
SCHEMBL8900347 0.74 HSP90AA1 (0.41) HSP90AA1HSP90AB1ALDH1A1GAAMETAP2
SCHEMBL2818901 0.74 SQOR (0.51) HSP90AA1ALDH1A1GAAMETAP2HSD17B10

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 9 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
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 HSP90AA1 3184/4885HSP90AB1 2748/4885ALDH1A1 419/4885

“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.