SCHEMBL12342124

SCHEMBL12342124

[C-]#[N+]c1cc(F)cc(-c2cc3c4c(ncn4C)c(NC)nc3n2CC(C#N)NC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.40
JAK3 P52333 8/20 0.40
IKBKB O14920 12/20 0.38
CHUK O15111 10/20 0.38
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
CDK2 P24941 1/20 0.31
PLK1 P53350 1/20 0.31
BTK Q06187 1/20 0.31
ITK Q08881 1/20 0.31
IKBKE Q14164 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
SCHEMBL12342116 0.89 JAK2 (0.42) JAK2JAK3IKBKBCHUKJAK1
SCHEMBL3039125 0.88 IKBKB (0.44) JAK2JAK3IKBKBCHUKJAK1
SCHEMBL12342129 0.88 JAK2 (0.43) JAK2JAK3IKBKBCHUKJAK1
SCHEMBL12342150 0.88 JAK2 (0.38) JAK2JAK3IKBKBCHUKJAK1
SCHEMBL12342128 0.87 JAK2 (0.42) JAK2JAK3IKBKBCHUKJAK1
SCHEMBL12342126 0.87 JAK2 (0.40) JAK2JAK3IKBKBCHUKJAK1
SCHEMBL12342140 0.85 JAK2 (0.52) JAK2JAK3IKBKBCHUKJAK1
SCHEMBL12342123 0.84 IKBKB (0.40) JAK2JAK3IKBKBCHUKJAK1
SCHEMBL12342110 0.84 JAK2 (0.48) JAK2JAK3IKBKBCHUKJAK1
SCHEMBL12342148 0.83 JAK2 (0.57) 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-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 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.