SCHEMBL3559244

SCHEMBL3559244

CNc1nc2c(cc(CCCNC(=O)c3ccccc3)n2C)c2c1ncn2C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.46
JAK3 P52333 7/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
IKBKB O14920 13/20 0.45
CHUK O15111 5/20 0.45
CDK2 P24941 1/20 0.45
PLK1 P53350 1/20 0.45
BTK Q06187 1/20 0.45
ITK Q08881 1/20 0.45
IKBKE Q14164 1/20 0.45

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
SCHEMBL2767537 0.72 IKBKB (0.63) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL2768509 0.71 IKBKB (0.63) IKBKBCHUK
SCHEMBL2768202 0.70 IKBKB (0.69) IKBKBCHUK
SCHEMBL2769215 0.70 IKBKB (0.65) IKBKBCHUK
SCHEMBL2767468 0.69 IKBKB (0.65) IKBKBCHUK
SCHEMBL2768094 0.69 IKBKB (0.81) IKBKBCHUK
SCHEMBL2767493 0.69 IKBKB (0.81) IKBKBCHUK
SCHEMBL14589355 0.68 IKBKB (0.68) JAK2TYK2IKBKBCHUKCDK2
SCHEMBL3039775 0.68 IKBKB (0.74) IKBKBCHUK
SCHEMBL2768187 0.68 IKBKB (0.54) 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 2 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 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 1250/4885JAK1 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.