SCHEMBL2768037

SCHEMBL2768037

Cn1cnc2cnc3[nH]c(-c4cccc(CNC(=O)c5ccccn5)c4)cc3c21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.58
CHUK O15111 8/20 0.58
WDR5 P61964 1/20 0.45
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
KCNH2 Q12809 1/20 0.39
GRIN2B Q13224 1/20 0.39
MMP13 P45452 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
KDR P35968 1/20 0.39

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 0.86 IKBKB (0.68) IKBKBCHUKAURKAAURKB
SCHEMBL2766448 0.84 IKBKB (0.56) IKBKBCHUKAURKAAURKB
SCHEMBL2766362 0.83 IKBKB (0.50) IKBKBCHUK
SCHEMBL2765687 0.83 IKBKB (0.71) IKBKBCHUKAURKAAURKBKDR
SCHEMBL2767127 0.82 IKBKB (0.56) IKBKBCHUKAURKAAURKBKDR
SCHEMBL2768340 0.78 CHUK (0.65) IKBKBCHUKAURKAAURKB
SCHEMBL2767568 0.76 IKBKB (0.59) IKBKBCHUK
SCHEMBL2767556 0.76 IKBKB (0.78) IKBKBCHUK
SCHEMBL2767281 0.74 IKBKB (1.00) IKBKBCHUK
SCHEMBL2769213 0.73 IKBKB (0.47) 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 5 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
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 1939/4885WDR5 1113/4885
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 1939/4885WDR5 1113/4885

“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.