SCHEMBL13633246

SCHEMBL13633246

Cc1cnc2nc1Nc1ccc(NC3CCNCC3)c(c1)CCc1cncc(c1)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
ALK Q9UM73 8/20 0.39
STK26 Q9P289 1/20 0.37
STK24 Q9Y6E0 1/20 0.37
BRD4 O60885 7/20 0.34
ATAD2 Q6PL18 7/20 0.34
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
TAF1 P21675 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
BRDT Q58F21 1/20 0.31
AXL P30530 1/20 0.31
FLT3 P36888 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
SCHEMBL13623292 0.90 JAK2 (0.50) JAK2JAK1TYK2JAK3ALK
SCHEMBL13633094 0.85 JAK2 (0.39) JAK2JAK1TYK2JAK3ALK
SCHEMBL13634064 0.85 MAPK1 (0.38) JAK2JAK1TYK2JAK3ALK
Trifluoroacetic Acid SCHEMBL1076370 0.83 JAK2 (0.44) JAK2JAK1TYK2JAK3ALK
Trifluoroacetic Acid SCHEMBL4364462 0.83 JAK2 (0.44) JAK2JAK1TYK2JAK3ALK
SCHEMBL13633109 0.83 JAK2 (0.37) JAK2JAK1TYK2JAK3ALK
SCHEMBL13634045 0.81 JAK2 (0.37) JAK2JAK1TYK2JAK3ALK
SCHEMBL13633181 0.80 JAK2 (0.44) JAK2JAK1TYK2JAK3ALK
SCHEMBL13632987 0.80 GRIN2B (0.38) JAK2ALKMEN1CYP3A4CYP2D6
SCHEMBL13632989 0.79 ALK (0.39) JAK2JAK1TYK2JAK3ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK JAK2 1/4885JAK1 2/4885TYK2 16/4885

“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.