SCHEMBL4038596

SCHEMBL4038596

COc1ccc(Nc2nc(N)n(-c3cc(Nc4ccccc4)ncn3)n2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.51
KIT P10721 4/20 0.51
IRAK4 Q9NWZ3 4/20 0.51
AURKA O14965 2/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
EGFR P00533 4/20 0.44
ERBB3 P21860 4/20 0.44
AXL P30530 2/20 0.42
JAK2 O60674 1/20 0.42
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
BACE1 P56817 3/20 0.40

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
SCHEMBL12780241 0.90 FLT3 (0.52) FLT3KITIRAK4AURKAMEN1
SCHEMBL12779833 0.90 FLT3 (0.59) FLT3KITIRAK4AURKAMEN1
SCHEMBL12780440 0.88 FLT3 (0.49) FLT3KITIRAK4AURKAMEN1
SCHEMBL4042579 0.88 FLT3 (0.48) FLT3KITIRAK4AURKAEGFR
SCHEMBL4040010 0.88 FLT3 (0.54) FLT3KITIRAK4AURKAMEN1
SCHEMBL12780641 0.88 FLT3 (0.45) FLT3KITIRAK4AURKAAXL
SCHEMBL12780303 0.87 MEN1 (0.60) FLT3KITIRAK4AURKAMEN1
SCHEMBL12780169 0.86 FLT3 (0.51) FLT3KITIRAK4AURKAMEN1
SCHEMBL12779839 0.85 MEN1 (0.55) FLT3KITIRAK4AURKAMEN1
SCHEMBL12780013 0.85 MEN1 (0.55) FLT3KITIRAK4AURKAMEN1

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-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
EP-2010487-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. Hoffmann-Roche AG (CH) 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-2007115938-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 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 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.