SCHEMBL5659484

SCHEMBL5659484

C=CCn1cnc2c(Cl)nc(Cl)c(N)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.38
ALDH1A1 P00352 2/20 0.37
ADORA2A P29274 3/20 0.35
HSP90AA1 P07900 4/20 0.34
HSP90AB1 P08238 4/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HIF1A Q16665 1/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC4 P56524 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
SCHEMBL2054791 0.76 HSP90AB1 (0.52) HSP90AA1HSP90AB1HDAC6HDAC4HDAC1
SCHEMBL5463469 0.74 PDE4D (0.50) ALDH1A1ADORA2APDE4BPDE4DHIF1A
SCHEMBL8058952 0.73 ADORA2B (0.40) ADORA2BALDH1A1ADORA2AHSP90AA1HSP90AB1
SCHEMBL1355050 0.72 P2RX7 (0.48) ADORA2BALDH1A1HSP90AA1HSP90AB1HIF1A
SCHEMBL29601580 0.72 P2RX7 (0.48) ADORA2BALDH1A1HSP90AA1HSP90AB1HIF1A
SCHEMBL2766415 0.70 CDK1 (0.46) ADORA2AHSP90AA1HSP90AB1HIF1AADORA1
SCHEMBL5999067 0.70 ALDH1A1 (0.40) ADORA2BALDH1A1HSP90AA1HSP90AB1HIF1A
SCHEMBL3441002 0.70 CDK1 (0.54) ADORA2AADORA3ADORA1
SCHEMBL29601777 0.69 ADORA2B (0.39) ADORA2BALDH1A1ADORA2APDE4APDE4B
SCHEMBL5657868 0.68 HDAC6 (0.44) ALDH1A1ADORA2ANPC1ADORA3ADORA1

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
US-7176214-B2 Imidazo-fused oxazolo[4,5-β]pyridine and imidazo-fused thiazolo[4,5-β]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
US-7176214-B2 Imidazo-fused oxazolo[4,5-β]pyridine and imidazo-fused thiazolo[4,5-β]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
US-7176214-B2 Imidazo-fused oxazolo[4,5-β]pyridine and imidazo-fused thiazolo[4,5-β]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
US-20060217412-A1 Imidazo-fused oxazolo[4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same PITTS WILLIAM J 2006-09-28 US disclosed
US-20050101626-A1 Imidazo-fused oxazolo[4,5-beta]pyridine and imidazo-fused thiazolo[4,5-beta]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2005-05-12 US disclosed
WO-2004106293-A2 OXAZOLYL - AND THIAZOLYL - PURINE BASED TRICYCLIC COMPOUNDS. BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-09 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 (2 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-20050101626-A1 Imidazo-fused oxazolo[4,5-beta]pyridine and imidazo-fused thiazolo[4,5-beta]pyridine based tricyclic compounds and pharmaceutical compositions comprising same TPMT, IRAK4, P2RX7 ADORA2B 360/4885ALDH1A1 744/4885ADORA2A 269/4885
US-20060217412-A1 Imidazo-fused oxazolo[4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same TPMT, IRAK4, P2RX7 ADORA2B 125/4885ALDH1A1 825/4885ADORA2A 197/4885

“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.