SCHEMBL2766448

SCHEMBL2766448

CC(C)C(=O)NCc1cccc(-c2cc3c(ncc4ncn(C)c43)[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 17/20 0.56
CHUK O15111 10/20 0.56
AURKA O14965 2/20 0.40
AURKB Q96GD4 2/20 0.40
SLC2A1 P11166 1/20 0.40
INCENP Q9NQS7 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
CDK2 P24941 1/20 0.38
BTK Q06187 1/20 0.38
ITK Q08881 1/20 0.38
IKBKE Q14164 1/20 0.38

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
SCHEMBL2767791 0.90 IKBKB (0.68) IKBKBCHUKAURKAAURKBSLC2A1
SCHEMBL2767127 0.85 IKBKB (0.56) IKBKBCHUKAURKAAURKB
SCHEMBL2768037 0.84 IKBKB (0.58) IKBKBCHUKAURKAAURKB
SCHEMBL2765687 0.84 IKBKB (0.71) IKBKBCHUKAURKAAURKB
SCHEMBL2769511 0.82 IKBKB (0.82) IKBKBCHUK
SCHEMBL2766362 0.81 IKBKB (0.50) IKBKBCHUK
SCHEMBL2768340 0.81 CHUK (0.65) IKBKBCHUKAURKAAURKBSLC2A1
SCHEMBL2771130 0.77 IKBKB (0.49) IKBKBCHUK
SCHEMBL2769213 0.77 IKBKB (0.47) IKBKBCHUK
SCHEMBL2767673 0.77 IKBKB (0.51) IKBKBCHUK

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 6 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
EP-1888584-B1 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2010-04-21 EP disclosed
EP-1888584-B1 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2010-04-21 EP disclosed
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2006-11-30 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 (2 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 419/4885CHUK 1939/4885AURKA 2620/4885
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same IL1R1, IDO1, TLR1 IKBKB 419/4885CHUK 1939/4885AURKA 2620/4885

“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.