SCHEMBL4044658

SCHEMBL4044658

COc1ccc(Nc2nc(N)n(-c3cc(C(F)(F)F)cc(C)n3)n2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.46
FLT3 P36888 4/20 0.46
IRAK4 Q9NWZ3 4/20 0.46
HPGD P15428 2/20 0.44
AURKA O14965 3/20 0.44
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 7/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
BACE1 P56817 1/20 0.41
CACNA1D Q01668 1/20 0.40
HTT P42858 3/20 0.40
MAPK1 P28482 1/20 0.40
AXL P30530 1/20 0.40
JAK2 O60674 1/20 0.40
LMNA P02545 1/20 0.39
SHMT2 P34897 1/20 0.39

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
SCHEMBL4038723 0.83 FLT3 (0.55) KITFLT3IRAK4HPGDAURKA
SCHEMBL4040684 0.81 AXL (0.59) KITFLT3IRAK4AURKAGAA
SCHEMBL4042118 0.76 FLT3 (0.78) KITFLT3IRAK4AURKAGAA
SCHEMBL4036447 0.75 FLT3 (0.72) KITFLT3IRAK4AURKAGAA
SCHEMBL4045911 0.75 FLT3 (0.49) KITFLT3IRAK4HPGDAURKA
SCHEMBL2088273 0.74 FLT3 (0.67) KITFLT3IRAK4GAANPC1
SCHEMBL2088439 0.73 FLT3 (0.67) KITFLT3IRAK4AURKAGAA
SCHEMBL4037886 0.73 FLT3 (0.52) KITFLT3IRAK4HPGDAURKA
SCHEMBL4037162 0.71 FLT3 (0.49) KITFLT3IRAK4AURKAGAA
SCHEMBL12779833 0.71 FLT3 (0.59) KITFLT3IRAK4AURKAGAA

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 KIT 1144/4885FLT3 220/4885IRAK4 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.