SCHEMBL4039007

SCHEMBL4039007

CN(C)CCNC(=O)c1ccc(-n2nc(Nc3ccc(N4CCOCC4)cc3)nc2N)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.58
KIT P10721 7/20 0.58
MTOR P42345 6/20 0.48
PIK3CA P42336 4/20 0.48
PIK3CG P48736 3/20 0.48
AXL P30530 1/20 0.48
IRAK4 Q9NWZ3 3/20 0.45
AURKA O14965 1/20 0.45
JAK2 O60674 5/20 0.45
JAK3 P52333 4/20 0.45
BMPR1B O00238 1/20 0.44
PLK4 O00444 1/20 0.44
CIT O14578 1/20 0.44
GAK O14976 1/20 0.44
OPA1 O60313 1/20 0.44
ROCK2 O75116 1/20 0.44
STK16 O75716 1/20 0.44
PRKD3 O94806 1/20 0.44
CSNK2A2 P19784 1/20 0.44
JAK1 P23458 1/20 0.44

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
SCHEMBL13963543 0.90 FLT3 (0.59) FLT3KITPIK3CAAXLIRAK4
SCHEMBL12780342 0.87 FLT3 (0.64) FLT3KITMTORIRAK4AURKA
SCHEMBL4037659 0.84 FLT3 (0.66) FLT3KITAXLIRAK4AURKA
SCHEMBL4038186 0.82 FLT3 (0.70) FLT3KITAXLIRAK4AURKA
SCHEMBL4039240 0.80 FLT3 (0.63) FLT3KITMTORPIK3CAPIK3CG
SCHEMBL12780801 0.79 FLT3 (0.68) FLT3KITAXLIRAK4AURKA
SCHEMBL13963542 0.78 FLT3 (0.63) FLT3KITAXLIRAK4AURKA
SCHEMBL4040681 0.78 FLT3 (0.70) FLT3KITAXLIRAK4AURKA
SCHEMBL14369765 0.77 FLT3 (0.54) FLT3KITMTORPIK3CAPIK3CG
SCHEMBL4046813 0.77 FLT3 (0.59) 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 1144/4885MTOR 210/4885

“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.