SCHEMBL3880903

SCHEMBL3880903

CN(C(=O)OC(C)(C)C)c1nc(N)c(Cl)c2c1ncn2C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.34
MAP4K4 O95819 1/20 0.31
BRD4 O60885 1/20 0.31
NLRP3 Q96P20 1/20 0.30
PAX8 Q06710 1/20 0.30
KAT6A Q92794 1/20 0.30
KAT5 Q92993 1/20 0.30
KAT8 Q9H7Z6 1/20 0.30

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
SCHEMBL2767551 0.87 PAX8 (0.33) CDK1MAP4K4BRD4NLRP3PAX8
SCHEMBL12344450 0.82 IKBKB (0.32) BRD4PAX8KAT8
SCHEMBL13348703 0.82 IKBKB (0.33) CDK1MAP4K4
SCHEMBL12344385 0.82 BRD4 (0.38) BRD4NLRP3PAX8
SCHEMBL12341998 0.80 BRD4 (0.31) BRD4
SCHEMBL12341871 0.79 GRM4 (0.32) BRD4PAX8
SCHEMBL3883442 0.79 CCNE2 (0.36)
SCHEMBL3546162 0.78 KDM4E (0.33) KAT6AKAT5KAT8
SCHEMBL13463910 0.78 BRD4 (0.39) BRD4PAX8
SCHEMBL12344495 0.78 FNTA (0.37) MAP4K4NLRP3PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557211-B2 8H-imidazo[4,5-D]thiazolo[4,5-B]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-7557211-B2 8H-imidazo[4,5-D]thiazolo[4,5-B]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-7557211-B2 8H-imidazo[4,5-D]thiazolo[4,5-B]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-20060128741-A1 8H-imidazo[4,5-D]thiazolo[4,5-B]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2006-06-15 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-20060128741-A1 8H-imidazo[4,5-D]thiazolo[4,5-B]pyridine based tricyclic compounds and pharmaceutical compositions comprising same IL4, IL5, CYP4B1 CDK1 676/4885MAP4K4 1592/4885BRD4 54/4885

“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.