SCHEMBL5658936

SCHEMBL5658936

CNc1nc2oc(-c3cccc(CNC(=O)C4CCCC4)c3)nc2c2c1ncn2C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 15/20 0.57
CHUK O15111 12/20 0.57
CDK2 P24941 2/20 0.57
BTK Q06187 2/20 0.57
ITK Q08881 2/20 0.57
IKBKE Q14164 2/20 0.57
WDR5 P61964 1/20 0.44
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL5658035 0.99 IKBKB (0.56) IKBKBCHUKCDK2BTKITK
SCHEMBL5657287 0.99 IKBKB (0.56) IKBKBCHUKCDK2BTKITK
SCHEMBL5658512 0.98 IKBKB (0.57) IKBKBCHUKCDK2BTKITK
SCHEMBL5657958 0.89 IKBKB (0.55) IKBKBCHUKCDK2BTKITK
SCHEMBL5658197 0.88 IKBKB (0.54) IKBKBCHUKCDK2BTKITK
SCHEMBL5659073 0.88 IKBKB (0.54) IKBKBCHUKCDK2BTKITK
SCHEMBL5659208 0.87 IKBKB (0.67) IKBKBCHUKCDK2BTKITK
SCHEMBL5659403 0.86 IKBKB (0.62) IKBKBCHUKCDK2BTKITK
SCHEMBL5658209 0.86 IKBKB (0.55) IKBKBCHUKCDK2BTKITK
SCHEMBL5655347 0.85 IKBKB (0.57) 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 8 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-20050192339-A1 Compounds BIOVITRUM AB (SE) 2005-09-01 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-20050192339-A1 Compounds BIOVITRUM AB (SE) 2005-09-01 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 (3 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-20050192339-A1 Compounds MCHR1, HCRTR1, NPY1R IKBKB 3804/4885CHUK 3023/4885CDK2 2019/4885
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.