SCHEMBL4037438

SCHEMBL4037438

CN(C)CCNc1cc(-n2nc(Nc3ccccc3F)nc2N)ncn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.77
IRAK4 Q9NWZ3 5/20 0.77
KIT P10721 3/20 0.77
AURKA O14965 2/20 0.77
JAK2 O60674 1/20 0.40
DNM2 P50570 2/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CDK4 P11802 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATR Q13535 1/20 0.35
NCF1 P14598 1/20 0.35
MAP4K4 O95819 1/20 0.35

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
SCHEMBL14369684 0.91 FLT3 (0.64) FLT3IRAK4KITAURKAJAK2
SCHEMBL4038649 0.87 FLT3 (1.00) FLT3IRAK4KITAURKAJAK2
SCHEMBL4043076 0.86 FLT3 (0.73) FLT3IRAK4KITAURKAJAK2
SCHEMBL12780169 0.81 FLT3 (0.51) FLT3IRAK4KITAURKAJAK2
SCHEMBL12780146 0.79 AURKA (0.49) FLT3IRAK4KITAURKAJAK2
SCHEMBL14369678 0.78 FLT3 (0.84) FLT3IRAK4KITAURKAJAK2
SCHEMBL4046813 0.76 FLT3 (0.59) FLT3IRAK4KITAURKAJAK2
SCHEMBL4039188 0.74 FLT3 (0.70) FLT3IRAK4KITAURKAJAK2
SCHEMBL4043938 0.74 AURKA (0.51) FLT3IRAK4KITAURKAMAP4K4
SCHEMBL12780440 0.73 FLT3 (0.49) FLT3IRAK4KITAURKAJAK2

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 10 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
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 220/4885IRAK4 566/4885KIT 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.