SCHEMBL4041335

SCHEMBL4041335

CC(C)CC(CO)N(C)c1cc(-n2nc(Nc3ccc(N4CCOCC4)cc3)nc2N)ncn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.51
KIT P10721 6/20 0.51
AXL P30530 5/20 0.45
IRAK4 Q9NWZ3 3/20 0.43
JAK2 O60674 2/20 0.41
INSR P06213 2/20 0.41
KDR P35968 2/20 0.41
BACE1 P56817 2/20 0.41
AURKA O14965 1/20 0.41
SYK P43405 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
LCK P06239 1/20 0.38
JAK3 P52333 1/20 0.37

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
SCHEMBL12780687 1.00 FLT3 (0.51) FLT3KITAXLIRAK4JAK2
SCHEMBL4041616 0.88 FLT3 (0.57) FLT3KITAXLIRAK4JAK2
SCHEMBL12780733 0.88 FLT3 (0.57) FLT3KITAXLIRAK4JAK2
SCHEMBL12780688 0.83 FLT3 (0.53) FLT3KITAXLIRAK4JAK2
SCHEMBL12780690 0.83 FLT3 (0.53) FLT3KITAXLIRAK4JAK2
SCHEMBL4043036 0.83 FLT3 (0.53) FLT3KITAXLIRAK4JAK2
SCHEMBL4041958 0.81 FLT3 (0.51) FLT3KITAXLIRAK4JAK2
SCHEMBL4046914 0.79 FLT3 (0.54) FLT3KITAXLIRAK4JAK2
SCHEMBL4045933 0.78 FLT3 (0.70) FLT3KITAXLIRAK4JAK2
SCHEMBL13963948 0.77 FLT3 (0.69) FLT3KITAXLIRAK4JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612054-B2 Dibenzo[b,f]oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
EP-1651592-B1 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2009-04-29 EP disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2007-05-17 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-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof APP, BACE1, BCHE FLT3 2306/4885KIT 1387/4885AXL 864/4885

“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.