SCHEMBL2767658

SCHEMBL2767658

C=CCn1c(-c2cc(F)cc(C#N)c2)cc2c3c(ncn3C)c(N(C)C(=O)OC(C)(C)C)nc21

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
JAK2 O60674 3/20 0.31
JAK1 P23458 3/20 0.31
TYK2 P29597 3/20 0.31
JAK3 P52333 3/20 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
SCHEMBL2768739 0.94 IKBKB (0.31) IKBKBCHUKJAK2JAK1TYK2
SCHEMBL2766167 0.90 IKBKB (0.32) IKBKBCHUKJAK2JAK1TYK2
SCHEMBL3039008 0.89 IKBKB (0.31) IKBKBCHUKJAK2JAK1TYK2
SCHEMBL2769077 0.89 IKBKB (0.34) IKBKBCHUKJAK2JAK1TYK2
SCHEMBL2767793 0.89 IKBKB (0.32) IKBKBCHUKJAK2JAK1TYK2
SCHEMBL2767093 0.89 JAK2 (0.39) IKBKBCHUKJAK2JAK1TYK2
SCHEMBL2768318 0.87 JAK2 (0.33) IKBKBCHUKJAK2JAK1TYK2
SCHEMBL2765876 0.87 JAK2 (0.41) IKBKBCHUKJAK2JAK1TYK2
SCHEMBL12342098 0.87 KDM4E (0.31) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL3551500 0.87 JAK2 (0.32) IKBKBCHUKJAK2JAK1TYK2

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
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 KDM4E 1937/4885ALDH1A1 93/4885GLA 1869/4885
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same IL1R1, IDO1, TLR1 KDM4E 1937/4885ALDH1A1 93/4885GLA 1869/4885

“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.