SCHEMBL4040173

SCHEMBL4040173

N#Cc1cc(Nc2nc(N)n(-c3ccccn3)n2)ccc1N1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 15/20 0.72
KIT P10721 11/20 0.72
IRAK4 Q9NWZ3 4/20 0.59
JAK2 O60674 2/20 0.59
AXL P30530 6/20 0.57
ABL1 P00519 1/20 0.57
LCK P06239 1/20 0.57
LYN P07948 1/20 0.57
MET P08581 1/20 0.57
PDGFRB P09619 1/20 0.57
SRC P12931 1/20 0.57
FGFR3 P22607 1/20 0.57
KDR P35968 1/20 0.57
JAK3 P52333 1/20 0.57
TEK Q02763 1/20 0.57
KARS1 Q15046 1/20 0.57
AURKA O14965 2/20 0.54

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
SCHEMBL12780751 0.94 FLT3 (0.69) FLT3KITIRAK4JAK2AXL
SCHEMBL13963313 0.89 FLT3 (0.76) FLT3KITIRAK4JAK2AXL
SCHEMBL4041004 0.89 FLT3 (0.74) FLT3KITIRAK4JAK2AXL
SCHEMBL12845741 0.88 FLT3 (0.73) FLT3KITIRAK4JAK2AXL
SCHEMBL13963314 0.87 FLT3 (0.76) FLT3KITIRAK4JAK2AXL
SCHEMBL14399533 0.85 FLT3 (0.69) FLT3KITIRAK4JAK2AXL
SCHEMBL4038957 0.85 FLT3 (0.71) FLT3KITIRAK4JAK2AXL
SCHEMBL4037409 0.84 FLT3 (1.00) FLT3KITIRAK4JAK2AXL
SCHEMBL4038815 0.83 FLT3 (0.66) FLT3KITIRAK4JAK2AXL
SCHEMBL16245894 0.81 SMG1 (0.52) FLT3KITJAK2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601354-A4 OXADIAZOLINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2009-08-12 EP claimed
EP-1601354-A2 OXADIAZOLINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RheoGene Holdings Inc. (US) 2005-12-07 EP claimed
WO-2005017126-A2 OXADIAZOLINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE HOLDINGS, INC. (US) 2005-02-24 WO claimed
WO-2013036574-A1 MODIFIED FORMS OF PSEUDOMONAS EXOTOXIN A INTREXON CORPORATION (US) 2013-03-14 WO 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
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 1144/4885IRAK4 566/4885

“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.