SCHEMBL5113252

SCHEMBL5113252

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

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.63
CHUK O15111 4/20 0.62
JAK2 O60674 1/20 0.53
TYK2 P29597 1/20 0.53
CDK2 P24941 1/20 0.43
BTK Q06187 1/20 0.43
ITK Q08881 1/20 0.43
IKBKE Q14164 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
SCHEMBL5106110 0.93 IKBKB (0.73) IKBKBCHUKJAK2TYK2CDK2
SCHEMBL9989953 0.91 IKBKB (0.59) IKBKBCHUKJAK2TYK2
SCHEMBL5111880 0.91 IKBKB (0.61) IKBKBCHUKJAK2TYK2CDK2
SCHEMBL5105950 0.90 IKBKB (0.62) IKBKBCHUKJAK2TYK2CDK2
SCHEMBL9990925 0.90 IKBKB (0.64) IKBKBCHUKJAK2TYK2CDK2
SCHEMBL5103114 0.90 IKBKB (0.62) IKBKBCHUKJAK2TYK2CDK2
SCHEMBL5113610 0.90 IKBKB (0.59) IKBKBCHUKJAK2TYK2CDK2
SCHEMBL5105324 0.90 IKBKB (0.57) IKBKBCHUKJAK2TYK2
SCHEMBL5098758 0.90 IKBKB (0.60) IKBKBCHUKJAK2TYK2
SCHEMBL9989346 0.89 IKBKB (0.61) IKBKBCHUKJAK2TYK2CDK2

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 131/4885CHUK 237/4885JAK2 161/4885

“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.