SCHEMBL12342153

SCHEMBL12342153

[C-]#[N+]c1cc(F)cc(-c2cc3c4c(ncn4C)c(NC)nc3n2CCN2CCOCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.40
JAK3 P52333 8/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
IKBKB O14920 8/20 0.39
CHUK O15111 8/20 0.39
TLR9 Q9NR96 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CDK2 P24941 1/20 0.33
PLK1 P53350 1/20 0.33
BTK Q06187 1/20 0.33
ITK Q08881 1/20 0.33
IKBKE Q14164 1/20 0.33
MAP4K4 O95819 2/20 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
SCHEMBL12342120 0.94 JAK2 (0.41) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL12342154 0.91 IKBKB (0.42) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL12342111 0.87 JAK2 (0.43) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL12342121 0.87 JAK2 (0.42) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL12342139 0.87 IKBKB (0.42) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL12342134 0.87 JAK2 (0.45) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL12342110 0.86 JAK2 (0.48) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL12342118 0.86 JAK2 (0.42) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL2767644 0.85 IKBKB (0.42) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL12342138 0.85 JAK2 (0.42) JAK2JAK3JAK1TYK2IKBKB

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 1250/4885JAK1 500/4885

“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.