SCHEMBL12780922

SCHEMBL12780922

COc1cc(Nc2nc(N)n(-c3nc4ccc(C(F)(F)F)cc4s3)n2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.54
AXL P30530 1/20 0.51
GAK O14976 4/20 0.48
CSNK1D P48730 1/20 0.47
EGFR P00533 1/20 0.46
EPHB6 O15197 1/20 0.46
RIPK2 O43353 1/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
EPHA1 P21709 1/20 0.46
EPHA8 P29322 1/20 0.46
TXK P42681 1/20 0.46
COQ8A Q8NI60 1/20 0.46
NLK Q9UBE8 1/20 0.46
PLK1 P53350 2/20 0.44
PTK2 Q05397 2/20 0.44
AURKA O14965 2/20 0.43
KDR P35968 1/20 0.43
AURKB Q96GD4 1/20 0.43
PLK3 Q9H4B4 1/20 0.42

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
SCHEMBL12780888 0.88 FLT3 (0.57) FLT3AXLGAKPLK1AURKA
SCHEMBL12780962 0.88 FLT3 (0.59) FLT3AXLAURKABACE1JAK2
SCHEMBL12780911 0.87 FLT3 (0.52) FLT3AXLCSNK1DAURKAKDR
SCHEMBL12780905 0.87 FLT3 (0.58) FLT3AXLAURKABACE1JAK2
SCHEMBL12780897 0.87 FLT3 (0.58) FLT3AXLCSNK1DEGFRLCK
SCHEMBL12780890 0.86 FLT3 (0.57) FLT3AXLGAKEGFRRIPK2
SCHEMBL12780839 0.84 FLT3 (0.66) FLT3AXLAURKABACE1JAK2
SCHEMBL12780906 0.83 FLT3 (0.53) FLT3AXLGAKPTK2AURKA
SCHEMBL12780994 0.82 FLT3 (0.57) FLT3AXLGAKPLK1AURKA
SCHEMBL12780924 0.82 FLT3 (0.52) FLT3AXLPTK2AURKAKDR

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 220/4885AXL 762/4885GAK 188/4885

“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.