SCHEMBL5657967

SCHEMBL5657967

Cn1cnc2c(NC3CCCC3)nc3oc(-c4ccccc4)nc3c21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.71
CHUK O15111 3/20 0.71
CDK2 P24941 2/20 0.71
BTK Q06187 2/20 0.71
ITK Q08881 2/20 0.71
IKBKE Q14164 2/20 0.71
ADORA1 P30542 9/20 0.49
ADORA3 P0DMS8 8/20 0.49
ADORA2A P29274 8/20 0.49
MAOB P27338 1/20 0.47
MAPT P10636 2/20 0.45
ADORA2B P29275 5/20 0.44
CYP3A4 P08684 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
PMP22 Q01453 1/20 0.43
KDM4E B2RXH2 3/20 0.42

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
SCHEMBL5659142 0.83 IKBKB (0.78) IKBKBCHUKCDK2BTKITK
SCHEMBL5657846 0.83 IKBKB (1.00) IKBKBCHUKCDK2BTKITK
SCHEMBL5659268 0.80 BTK (0.63) IKBKBCHUKCDK2BTKITK
SCHEMBL5658626 0.80 IKBKB (0.77) IKBKBCHUKCDK2BTKITK
SCHEMBL5659228 0.78 IKBKB (0.67) IKBKBCHUKCDK2BTKITK
SCHEMBL5658019 0.78 IKBKB (0.73) IKBKBCHUKCDK2BTKITK
SCHEMBL5655431 0.78 CDK2 (0.73) IKBKBCHUKCDK2BTKITK
SCHEMBL5659550 0.77 IKBKB (0.72) IKBKBCHUKCDK2BTKITK
SCHEMBL5659274 0.77 IKBKB (0.72) IKBKBCHUKCDK2BTKITK
SCHEMBL5658857 0.77 IKBKB (0.71) IKBKBCHUKCDK2BTKITK

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 claimed
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 claimed
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 claimed
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

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 IKBKB 243/4885CHUK 197/4885CDK2 350/4885
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 IKBKB 151/4885CHUK 272/4885CDK2 325/4885

“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.