SCHEMBL2089201

SCHEMBL2089201

Nc1nc(Nc2ccc(C(=O)N3CCNCC3)cc2)nn1-c1ccccn1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 15/20 0.79
KIT P10721 10/20 0.79
AXL P30530 4/20 0.53
MKNK1 Q9BUB5 1/20 0.53
IRAK4 Q9NWZ3 3/20 0.51
AURKA O14965 2/20 0.51
JAK2 O60674 1/20 0.51
ABL1 P00519 1/20 0.50
LCK P06239 1/20 0.50
LYN P07948 1/20 0.50
MET P08581 1/20 0.50
PDGFRB P09619 1/20 0.50
SRC P12931 1/20 0.50
FGFR3 P22607 1/20 0.50
KDR P35968 1/20 0.50
JAK3 P52333 1/20 0.50
TEK Q02763 1/20 0.50
KARS1 Q15046 1/20 0.50
RIPK1 Q13546 1/20 0.47

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
SCHEMBL12780820 0.91 FLT3 (0.83) FLT3KITAXLIRAK4AURKA
SCHEMBL12780821 0.90 FLT3 (0.82) FLT3KITAXLIRAK4AURKA
SCHEMBL12780666 0.88 FLT3 (1.00) FLT3KITAXLIRAK4AURKA
SCHEMBL12780793 0.87 FLT3 (0.76) FLT3KITAXLIRAK4AURKA
SCHEMBL12780753 0.86 FLT3 (0.75) FLT3KITAXLIRAK4AURKA
SCHEMBL12780684 0.85 FLT3 (0.74) FLT3KITAXLIRAK4AURKA
SCHEMBL12780686 0.85 FLT3 (0.74) FLT3KITAXLABL1LCK
SCHEMBL12780824 0.84 FLT3 (0.73) FLT3KITAXLIRAK4AURKA
SCHEMBL12780680 0.84 FLT3 (0.72) FLT3KITAXLIRAK4AURKA
SCHEMBL2088722 0.83 FLT3 (0.71) 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 14 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
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-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
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
EP-1562589-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-08-17 EP disclosed
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-10-28 US disclosed
WO-2004046120-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-06-03 WO 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 (2 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
US-20040214817-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.