SCHEMBL4044759

SCHEMBL4044759

Nc1nc(Nc2ccc(CN3CCOCC3)cc2)nn1-c1nccc(N2CCCCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AXL P30530 9/20 0.53
BACE1 P56817 6/20 0.53
FLT3 P36888 7/20 0.49
KIT P10721 4/20 0.49
PLK4 O00444 1/20 0.49
JAK2 O60674 1/20 0.43
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
LYN P07948 1/20 0.42
MET P08581 1/20 0.42
PDGFRB P09619 1/20 0.42
SRC P12931 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
JAK3 P52333 1/20 0.42
TEK Q02763 1/20 0.42
KARS1 Q15046 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL4044785 0.93 AXL (0.53) AXLBACE1FLT3KITPLK4
SCHEMBL4213130 0.88 FLT3 (0.64) AXLBACE1FLT3KITPLK4
SCHEMBL4045219 0.84 FLT3 (0.54) AXLBACE1FLT3KITPLK4
SCHEMBL4046390 0.80 FLT3 (0.67) AXLBACE1FLT3KITPLK4
SCHEMBL4037761 0.79 FLT3 (0.74) AXLBACE1FLT3KITPLK4
SCHEMBL4039752 0.79 AXL (0.47) AXLBACE1FLT3KIT
SCHEMBL4038908 0.77 ULK1 (0.46) AXLBACE1FLT3KIT
SCHEMBL4045608 0.75 FLT3 (0.60) AXLBACE1FLT3KITJAK2
SCHEMBL14275575 0.74 BACE1 (0.75) AXLBACE1FLT3KITPLK4
SCHEMBL4041137 0.74 AXL (0.71) AXLBACE1FLT3KITJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 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-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 AXL 762/4885BACE1 3044/4885FLT3 220/4885

“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.