SCHEMBL4044990

SCHEMBL4044990

N#Cc1ccc(-n2nc(Nc3ccc(N4CCOCC4)cc3)nc2N)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.62
KIT P10721 4/20 0.62
JAK2 O60674 3/20 0.59
AXL P30530 2/20 0.58
IRAK4 Q9NWZ3 2/20 0.55
AURKA O14965 1/20 0.55
BACE1 P56817 2/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
JAK3 P52333 1/20 0.47
KDR P35968 1/20 0.45
MAPK8 P45983 1/20 0.44
MAPK10 P53779 1/20 0.44
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
SYK P43405 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
SCHEMBL4036162 0.87 FLT3 (0.72) FLT3KITJAK2AXLIRAK4
SCHEMBL4042120 0.86 FLT3 (0.73) FLT3KITJAK2AXLIRAK4
SCHEMBL2085464 0.86 FLT3 (0.54) FLT3KITJAK2AXLIRAK4
SCHEMBL4046372 0.85 FLT3 (0.71) FLT3KITJAK2AXLIRAK4
SCHEMBL4040180 0.82 FLT3 (0.60) FLT3KITJAK2AXLIRAK4
SCHEMBL4240952 0.82 FLT3 (0.62) FLT3KITJAK2AXLIRAK4
SCHEMBL4044461 0.82 JAK2 (0.53) FLT3KITJAK2AXLIRAK4
SCHEMBL12780722 0.81 FLT3 (0.62) FLT3KITJAK2AXLIRAK4
SCHEMBL4037968 0.80 FLT3 (0.62) FLT3KITJAK2IRAK4AURKA
SCHEMBL13963887 0.79 FLT3 (0.67) FLT3KITJAK2AXLIRAK4

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 1144/4885JAK2 112/4885

“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.