SCHEMBL4040887

SCHEMBL4040887

CCN(CC)c1cc(-n2nc(Nc3ccc(F)cc3F)nc2N)ncn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.44
IRAK4 Q9NWZ3 8/20 0.44
KIT P10721 6/20 0.44
AURKA O14965 4/20 0.44
DPP4 P27487 1/20 0.38
JAK2 O60674 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.35
AXL P30530 3/20 0.35
INSR P06213 1/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
SLC34A1 Q06495 1/20 0.33

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
SCHEMBL4039634 0.81 FLT3 (0.45) FLT3IRAK4KITAURKAJAK2
SCHEMBL4042194 0.78 FLT3 (0.46) FLT3IRAK4KITAURKAJAK2
SCHEMBL12780440 0.76 FLT3 (0.49) FLT3IRAK4KITAURKAJAK2
SCHEMBL4039328 0.75 FLT3 (0.63) FLT3IRAK4KITAURKAJAK2
SCHEMBL4043675 0.73 AXL (0.45) FLT3IRAK4KITAURKADPP4
SCHEMBL4043938 0.73 AURKA (0.51) FLT3IRAK4KITAURKAAXL
SCHEMBL14369684 0.71 FLT3 (0.64) FLT3IRAK4KITAURKAJAK2
SCHEMBL12780235 0.71 FLT3 (0.48) FLT3IRAK4KITAURKAJAK2
SCHEMBL12780471 0.70 FLT3 (0.54) FLT3IRAK4KITAURKAJAK2
SCHEMBL12781203 0.69 JAK2 (0.45) FLT3KITAURKAJAK2MAPK1

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 220/4885IRAK4 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.