SCHEMBL3551500

SCHEMBL3551500

CN(C(=O)OC(C)(C)C)c1nc2c(cc(-c3cc(F)cc(C#N)c3)n2CCNCCO)c2c1ncn2C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.32
JAK3 P52333 9/20 0.32
IKBKB O14920 2/20 0.32
CHUK O15111 2/20 0.32
JAK1 P23458 4/20 0.31
TYK2 P29597 4/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL3045454 0.90 JAK2 (0.34) JAK2JAK3IKBKBCHUKJAK1
SCHEMBL13376655 0.89 JAK2 (0.32) JAK2JAK3
SCHEMBL2768739 0.89 IKBKB (0.31) JAK2JAK3IKBKBCHUKJAK1
SCHEMBL2767793 0.88 IKBKB (0.32) JAK2JAK3IKBKBCHUKJAK1
SCHEMBL2766167 0.88 IKBKB (0.32) JAK2JAK3IKBKBCHUKJAK1
SCHEMBL12342115 0.88 JAK2 (0.32) JAK2JAK3IKBKBCHUKJAK1
SCHEMBL3039008 0.87 IKBKB (0.31) JAK2JAK3IKBKBCHUKJAK1
SCHEMBL2769077 0.87 IKBKB (0.34) JAK2JAK3IKBKBCHUKJAK1
SCHEMBL2765876 0.87 JAK2 (0.41) JAK2JAK3IKBKBCHUKJAK1
SCHEMBL2767658 0.87 KDM4E (0.31) JAK2JAK3IKBKBCHUKJAK1

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-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-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 (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-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same IL1R1, IDO1, TLR1 JAK2 681/4885JAK3 1250/4885IKBKB 419/4885

“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.