SCHEMBL4042297

SCHEMBL4042297

Nc1nc(Nc2ccc(Oc3ccccc3)cc2)nn1-c1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 15/20 0.66
KIT P10721 10/20 0.66
AXL P30530 6/20 0.66
IRAK4 Q9NWZ3 3/20 0.64
AURKA O14965 2/20 0.64
JAK2 O60674 1/20 0.64
ABL1 P00519 1/20 0.53
LCK P06239 1/20 0.53
LYN P07948 1/20 0.53
MET P08581 1/20 0.53
PDGFRB P09619 1/20 0.53
SRC P12931 1/20 0.53
FGFR3 P22607 1/20 0.53
KDR P35968 1/20 0.53
JAK3 P52333 1/20 0.53
TEK Q02763 1/20 0.53
KARS1 Q15046 1/20 0.53
BACE1 P56817 2/20 0.49

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
SCHEMBL4037878 0.88 FLT3 (0.73) FLT3KITAXLIRAK4AURKA
SCHEMBL3961937 0.88 FLT3 (0.73) FLT3KITAXLIRAK4AURKA
SCHEMBL4041216 0.86 AXL (0.69) FLT3KITAXLIRAK4AURKA
SCHEMBL4039583 0.85 FLT3 (0.65) FLT3KITAXLIRAK4AURKA
SCHEMBL4046926 0.84 AXL (0.73) FLT3KITAXLIRAK4AURKA
SCHEMBL4039312 0.83 FLT3 (0.62) FLT3KITAXLBACE1
SCHEMBL2088682 0.82 FLT3 (0.75) FLT3KITAXLIRAK4AURKA
SCHEMBL4038633 0.81 FLT3 (0.73) FLT3KITAXLIRAK4AURKA
SCHEMBL13963317 0.81 FLT3 (0.69) FLT3KITAXLIRAK4AURKA
SCHEMBL12779167 0.81 FLT3 (0.69) FLT3KITAXLIRAK4AURKA

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 1144/4885AXL 762/4885

“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.