SCHEMBL4040880

SCHEMBL4040880

CCOc1cccc(Nc2nc(N)n(-c3ccccn3)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 15/20 0.66
KIT P10721 10/20 0.66
IRAK4 Q9NWZ3 4/20 0.64
AURKA O14965 2/20 0.64
JAK2 O60674 1/20 0.64
AXL P30530 4/20 0.61
SYK P43405 1/20 0.47
PTK2 Q05397 1/20 0.45
ABL1 P00519 1/20 0.45
LCK P06239 1/20 0.45
LYN P07948 1/20 0.45
MET P08581 1/20 0.45
PDGFRB P09619 1/20 0.45
SRC P12931 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
JAK3 P52333 1/20 0.45
TEK Q02763 1/20 0.45
KARS1 Q15046 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
SCHEMBL4041779 0.89 FLT3 (0.72) FLT3KITIRAK4AURKAJAK2
SCHEMBL4041216 0.88 AXL (0.69) FLT3KITIRAK4AURKAJAK2
SCHEMBL4041560 0.87 FLT3 (0.60) FLT3KITIRAK4AURKAJAK2
SCHEMBL4044251 0.85 FLT3 (0.60) FLT3KITIRAK4AURKAJAK2
SCHEMBL4036438 0.85 FLT3 (0.77) FLT3KITIRAK4AURKAJAK2
SCHEMBL4037096 0.83 FLT3 (0.62) FLT3KITIRAK4AURKAJAK2
SCHEMBL4038216 0.83 AXL (0.73) FLT3KITIRAK4AURKAJAK2
SCHEMBL12780256 0.83 FLT3 (0.49) FLT3KITIRAK4AURKAJAK2
SCHEMBL4038067 0.82 FLT3 (0.86) FLT3KITIRAK4AURKAJAK2
SCHEMBL13963940 0.82 FLT3 (0.69) FLT3KITIRAK4AURKAJAK2

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 FLT3 220/4885KIT 1144/4885IRAK4 566/4885

“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.