SCHEMBL3552992

SCHEMBL3552992

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.45
CHUK O15111 11/20 0.45
JAK2 O60674 8/20 0.40
JAK3 P52333 8/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
CDK2 P24941 1/20 0.35
PLK1 P53350 1/20 0.35
BTK Q06187 1/20 0.35
ITK Q08881 1/20 0.35
IKBKE Q14164 1/20 0.35
ADORA2B P29275 1/20 0.32

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
SCHEMBL2768209 0.89 JAK2 (0.48) IKBKBCHUKJAK2JAK3JAK1
SCHEMBL2767367 0.89 IKBKB (0.47) IKBKBCHUKJAK2JAK3JAK1
SCHEMBL2768229 0.88 IKBKB (0.46) IKBKBCHUKJAK2JAK3JAK1
SCHEMBL3545886 0.88 IKBKB (0.46) IKBKBCHUKJAK2JAK3JAK1
SCHEMBL2769279 0.87 IKBKB (0.45) IKBKBCHUKJAK2JAK3JAK1
SCHEMBL12344632 0.86 IKBKB (0.33) IKBKBCHUKJAK2JAK3JAK1
SCHEMBL2767499 0.86 CHUK (0.45) IKBKBCHUKJAK2JAK3JAK1
SCHEMBL3042669 0.86 IKBKB (0.45) IKBKBCHUKJAK2JAK3JAK1
SCHEMBL2766181 0.85 JAK2 (0.52) IKBKBCHUKJAK2JAK3JAK1
SCHEMBL2766408 0.85 IKBKB (0.50) IKBKBCHUKJAK2JAK3JAK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 IKBKB 419/4885CHUK 1939/4885JAK2 681/4885

“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.