SCHEMBL4038443

SCHEMBL4038443

Nc1nc(Nc2cccc3c2CCC3)nn1-c1cc(N2CCN(C3CC3)CC2)ncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.44
AXL P30530 8/20 0.44
KIT P10721 7/20 0.44
KDR P35968 4/20 0.44
AURKA O14965 3/20 0.44
MET P08581 2/20 0.44
SRC P12931 2/20 0.44
EGFR P00533 2/20 0.44
RET P07949 1/20 0.44
PDGFRA P16234 1/20 0.44
TYRO3 Q06418 1/20 0.44
DDR1 Q08345 1/20 0.44
MERTK Q12866 1/20 0.44
AURKB Q96GD4 1/20 0.44
ALK Q9UM73 1/20 0.44
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
LYN P07948 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR3 P22607 1/20 0.39

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
SCHEMBL4044514 0.89 FLT3 (0.46) FLT3AXLKITKDRAURKA
SCHEMBL4046935 0.81 FLT3 (0.45) FLT3AXLKITKDRAURKA
SCHEMBL4037088 0.80 FLT3 (0.57) FLT3AXLKITKDRAURKA
SCHEMBL4043675 0.79 AXL (0.45) FLT3AXLKITKDRAURKA
SCHEMBL12780498 0.78 FLT3 (0.46) FLT3AXLKITKDRAURKA
SCHEMBL4044855 0.76 AURKA (0.50) FLT3AXLKITAURKAINSR
SCHEMBL4046831 0.75 FLT3 (0.63) FLT3AXLKITKDRAURKA
SCHEMBL467748 0.74 AXL (0.77) FLT3AXLKITKDRAURKA
SCHEMBL4036171 0.74 FLT3 (0.60) FLT3AXLKITKDRAURKA
SCHEMBL4039049 0.73 FLT3 (0.63) FLT3AXLKITKDRAURKA

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 220/4885AXL 762/4885KIT 1144/4885

“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.