SCHEMBL4038690

SCHEMBL4038690

Nc1nc(Nc2ccc(N3CCOCC3)cc2)nn1-c1ccccc1F

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.67
KIT P10721 4/20 0.67
AXL P30530 1/20 0.62
BACE1 P56817 3/20 0.57
IRAK4 Q9NWZ3 2/20 0.56
JAK2 O60674 2/20 0.56
SYK P43405 1/20 0.51
PLK4 O00444 3/20 0.51
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
STAT6 P42226 1/20 0.47
IGF1R P08069 1/20 0.46

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
SCHEMBL2086939 0.85 FLT3 (0.57) FLT3KITAXLBACE1IRAK4
SCHEMBL4045377 0.85 BACE1 (0.59) FLT3KITAXLBACE1JAK2
SCHEMBL4042120 0.85 FLT3 (0.73) FLT3KITAXLIRAK4JAK2
SCHEMBL2085464 0.83 FLT3 (0.54) FLT3KITAXLBACE1IRAK4
SCHEMBL12781313 0.80 FLT3 (0.58) FLT3KITAXLBACE1IRAK4
SCHEMBL4037409 0.80 FLT3 (1.00) FLT3KITAXLBACE1IRAK4
SCHEMBL12781317 0.79 FLT3 (0.60) FLT3KITAXLBACE1IRAK4
SCHEMBL12781319 0.79 FLT3 (0.65) FLT3KITAXLBACE1IRAK4
SCHEMBL4040246 0.79 FLT3 (0.52) FLT3KITBACE1IRAK4JAK2
SCHEMBL28335490 0.77 FLT3 (0.61) FLT3KITAXLBACE1JAK2

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.