SCHEMBL12342002

SCHEMBL12342002

CC(=O)Nc1cccc(C#Cc2c(N)nc(N(C)C(=O)OC(C)(C)C)c3ncn(C)c23)n1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.40
MAPK8 P45983 1/20 0.31

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
SCHEMBL12341998 0.88 BRD4 (0.31)
SCHEMBL12341940 0.87 IKBKB (0.41) IKBKB
SCHEMBL3039688 0.87
SCHEMBL3043203 0.87 IKBKB (0.42) IKBKB
SCHEMBL3039624 0.87 IKBKB (0.34) IKBKB
SCHEMBL2767638 0.87 BRD4 (0.30)
SCHEMBL2766951 0.85 IKBKB (0.33) IKBKB
SCHEMBL12344350 0.84 IKBKB (0.47) IKBKBMAPK8
SCHEMBL12341871 0.83 GRM4 (0.32)
SCHEMBL2767648 0.82 IKBKB (0.32) IKBKB

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
US-8268855-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US disclosed
US-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-7737279-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-15 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-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME IL1R1, IDO1, TLR1 IKBKB 419/4885MAPK8 2905/4885

“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.