SCHEMBL4038487

SCHEMBL4038487

CC1CN(CCCOc2ccc(Nc3nc(N)n(-c4ccccn4)n3)cc2)CC(C)O1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.73
AXL P30530 9/20 0.67
KIT P10721 5/20 0.54
BACE1 P56817 9/20 0.53
AURKA O14965 1/20 0.51
JAK2 O60674 1/20 0.51
IRAK4 Q9NWZ3 1/20 0.51

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
SCHEMBL4039626 0.87 FLT3 (0.67) FLT3AXLKITAURKAJAK2
SCHEMBL4036466 0.85 FLT3 (1.00) FLT3AXLKITBACE1
SCHEMBL4046926 0.83 AXL (0.73) FLT3AXLKITBACE1AURKA
SCHEMBL4041450 0.81 FLT3 (0.71) FLT3AXLKITAURKAJAK2
SCHEMBL12780728 0.81 FLT3 (0.71) FLT3AXLKITAURKAJAK2
SCHEMBL4991031 0.81 AXL (1.00) FLT3AXLBACE1
SCHEMBL29929245 0.81 AXL (1.00) FLT3AXLBACE1
SCHEMBL4041216 0.79 AXL (0.69) FLT3AXLKITBACE1AURKA
SCHEMBL3961937 0.77 FLT3 (0.73) FLT3AXLKITBACE1AURKA
SCHEMBL12780000 0.75 FLT3 (0.49) FLT3AXLKITBACE1AURKA

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 8 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
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.