SCHEMBL4042878

SCHEMBL4042878

COc1cc(Nc2nc(N)n(-c3ccc(C#N)cc3)n2)cc(OCCN(C)C)c1OC

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 12/20 0.65
AXL P30530 1/20 0.51
AURKA O14965 3/20 0.43
KIT P10721 3/20 0.43
IRAK4 Q9NWZ3 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PTK2 Q05397 1/20 0.42
JAK2 O60674 1/20 0.40
IMPDH2 P12268 1/20 0.40
GAK O14976 2/20 0.39
RIPK2 O43353 2/20 0.39
COQ8A Q8NI60 2/20 0.39
NLK Q9UBE8 2/20 0.39
TBK1 Q9UHD2 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
SCHEMBL4040965 0.89 FLT3 (0.61) FLT3AXLAURKAKITIRAK4
SCHEMBL4038352 0.89 FLT3 (0.80) FLT3AXLAURKAKITIRAK4
SCHEMBL4043027 0.85 FLT3 (0.61) FLT3AXLAURKAKITIRAK4
SCHEMBL4036384 0.84 FLT3 (0.60) FLT3AXLAURKAKITIRAK4
SCHEMBL4039131 0.83 FLT3 (0.64) FLT3AXLAURKAKITIRAK4
SCHEMBL4036800 0.83 FLT3 (0.61) FLT3AXLAURKAKITIRAK4
SCHEMBL12779915 0.83 FLT3 (0.59) FLT3AXLAURKAKITIRAK4
SCHEMBL4038611 0.83 FLT3 (0.62) FLT3AXLAURKAKITIRAK4
SCHEMBL4040972 0.82 FLT3 (0.57) FLT3AXLAURKAKITIRAK4
SCHEMBL2086558 0.81 FLT3 (0.80) 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 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 762/4885AURKA 181/4885

“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.