SCHEMBL4043517

SCHEMBL4043517

COc1cc(Nc2nc(N)n(-c3ccccn3)n2)cc(OC)c1OCCCN1CCN(C)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.70
FLT3 P36888 12/20 0.62
KIT P10721 8/20 0.62
IRAK4 Q9NWZ3 3/20 0.62
JAK2 O60674 2/20 0.62
AURKA O14965 1/20 0.62
PTK2 Q05397 2/20 0.48
BACE1 P56817 1/20 0.47
TBK1 Q9UHD2 1/20 0.47
LCK P06239 1/20 0.46
MET P08581 1/20 0.46
FGFR1 P11362 1/20 0.46
SRC P12931 1/20 0.46
KDR P35968 1/20 0.46
ZAP70 P43403 1/20 0.46
SYK P43405 1/20 0.46
JAK3 P52333 1/20 0.46
TEK Q02763 1/20 0.46
BTK Q06187 1/20 0.46
MAPK14 Q16539 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
SCHEMBL4042140 0.92 FLT3 (0.73) AXLFLT3KITIRAK4JAK2
SCHEMBL4037593 0.89 FLT3 (0.69) AXLFLT3KITIRAK4JAK2
SCHEMBL14369652 0.87 AXL (0.69) AXLFLT3KITIRAK4JAK2
SCHEMBL12779847 0.87 AXL (0.71) AXLFLT3KITIRAK4JAK2
SCHEMBL4042846 0.84 FLT3 (0.72) AXLFLT3KITIRAK4JAK2
SCHEMBL4040345 0.83 AXL (1.00) AXLFLT3KITIRAK4JAK2
SCHEMBL4045096 0.82 AXL (0.72) AXLFLT3KITIRAK4JAK2
SCHEMBL4041990 0.82 FLT3 (0.74) AXLFLT3KITIRAK4JAK2
SCHEMBL4036173 0.81 FLT3 (0.61) AXLFLT3KITIRAK4JAK2
SCHEMBL4039353 0.80 FLT3 (0.71) AXLFLT3KITIRAK4JAK2

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 9 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-2038742-A2 SUPPORTING MULTIPLE LANGUAGES IN THE OPERATION AND MANAGEMENT OF A PROCESS CONTROL SYSTEM Honeywell International Inc. (US) 2009-03-25 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
WO-2008005957-A2 SUPPORTING MULTIPLE LANGUAGES IN THE OPERATION AND MANAGEMENT OF A PROCESS CONTROL SYSTEM HONEYWELL INTERNATIONAL INC. (US) 2008-01-10 WO 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 AXL 762/4885FLT3 220/4885KIT 1144/4885

“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.