SCHEMBL4044479

SCHEMBL4044479

COc1cc(Nc2nc(N)n(-c3ccc(C#N)cc3F)n2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.58
AXL P30530 1/20 0.54
GAK O14976 2/20 0.44
RIPK2 O43353 2/20 0.44
COQ8A Q8NI60 2/20 0.44
NLK Q9UBE8 2/20 0.44
PTK2 Q05397 2/20 0.44
AURKA O14965 2/20 0.42
KIT P10721 2/20 0.42
IRAK4 Q9NWZ3 2/20 0.42
JAK2 O60674 1/20 0.42
BRAF P15056 1/20 0.41

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
SCHEMBL4036286 0.86 FLT3 (0.64) FLT3AXLAURKAKITIRAK4
SCHEMBL4038658 0.85 FLT3 (0.61) FLT3AXLPTK2AURKAKIT
SCHEMBL4038352 0.84 FLT3 (0.80) FLT3AXLGAKRIPK2COQ8A
SCHEMBL4039143 0.83 FLT3 (0.80) FLT3AXLAURKAKITIRAK4
SCHEMBL4038836 0.82 FLT3 (0.81) FLT3AXLGAKRIPK2COQ8A
SCHEMBL4040469 0.76 FLT3 (0.73) FLT3AXLPTK2AURKAKIT
SCHEMBL2086558 0.76 FLT3 (0.80) FLT3AXLPTK2AURKAKIT
SCHEMBL4042878 0.75 FLT3 (0.65) FLT3AXLGAKRIPK2COQ8A
SCHEMBL2085464 0.74 FLT3 (0.54) FLT3AXLAURKAKITIRAK4
SCHEMBL4036749 0.74 FLT3 (1.00) FLT3AXLAURKAKITIRAK4

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
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-2051708-A2 EPITOPE REDUCTION THERAPY ISIS Innovation Limited (GB) 2009-04-29 EP disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
WO-2008012555-A2 EPITOPE REDUCTION THERAPY ISIS INNOVATION LIMITED (GB) 2008-01-31 WO 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
CN-1738615-A Diaminotriazoles as inhibitors of protein kinases VERTEX PHARMA (US) 2006-02-22 CN 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.