SCHEMBL5111339

SCHEMBL5111339

C[C@H](NC(=O)c1ccncc1F)c1cccc(-c2nc3c(ncc4ncn(C)c43)s2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.54
JAK2 O60674 1/20 0.54
TYK2 P29597 1/20 0.54
CHUK O15111 3/20 0.53
MAP4K4 O95819 1/20 0.42
PRKCG P05129 1/20 0.42
CDK1 P06493 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
MARK3 P27448 1/20 0.42
MAPK1 P28482 1/20 0.42
AKT1 P31749 1/20 0.42
CLK2 P49760 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
IRAK1 P51617 1/20 0.42
RPS6KA3 P51812 1/20 0.42
PRKX P51817 1/20 0.42
NEK4 P51957 1/20 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
SCHEMBL5106050 0.88 IKBKB (0.58) IKBKBJAK2TYK2CHUK
SCHEMBL5103455 0.88 IKBKB (0.57) IKBKBJAK2TYK2CHUKROCK1
SCHEMBL5103401 0.87 IKBKB (0.56) IKBKBJAK2TYK2CHUKROCK1
SCHEMBL5113368 0.87 IKBKB (0.56) IKBKBJAK2TYK2CHUKROCK1
SCHEMBL5106554 0.86 IKBKB (0.57) IKBKBJAK2TYK2CHUK
SCHEMBL5111698 0.86 IKBKB (0.58) IKBKBJAK2TYK2CHUK
SCHEMBL5106507 0.85 IKBKB (0.56) IKBKBJAK2TYK2CHUKMAPK1
SCHEMBL5113373 0.85 IKBKB (0.55) IKBKBJAK2TYK2CHUKPRKACA
SCHEMBL9989054 0.85 IKBKB (0.57) IKBKBJAK2TYK2CHUKCDK2
SCHEMBL9989953 0.85 IKBKB (0.59) IKBKBJAK2TYK2CHUK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833836-B1 IMIDAZO-FUSED THIAZOLO [4,5-B] PYRIDINE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2011-12-21 EP disclosed
US-7456194-B2 Imidazo-fused oxazolo [4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-20060106051-A1 Imidazo-fused oxazolo[4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2006-05-18 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 (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-20060106051-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 131/4885JAK2 161/4885TYK2 43/4885

“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.