SCHEMBL4047467

SCHEMBL4047467

COc1cc(Nc2nc(N)n(-c3ccncc3)n2)cc(OC)c1OC

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.80
AXL P30530 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.54
PTK2 Q05397 1/20 0.54
IMPDH2 P12268 1/20 0.53
AURKA O14965 1/20 0.52
JAK2 O60674 1/20 0.52
KIT P10721 1/20 0.52
IRAK4 Q9NWZ3 1/20 0.52
BRAF P15056 2/20 0.50

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
SCHEMBL4036749 0.89 FLT3 (1.00) FLT3AXLSMN1; SMN2IMPDH2AURKA
SCHEMBL4038352 0.84 FLT3 (0.80) FLT3AXLSMN1; SMN2PTK2IMPDH2
SCHEMBL2087717 0.83 FLT3 (0.72) FLT3AXLSMN1; SMN2PTK2BRAF
SCHEMBL2086414 0.83 FLT3 (0.80) FLT3AXLSMN1; SMN2PTK2IMPDH2
SCHEMBL4047466 0.81 FLT3 (0.53) FLT3AXLPTK2BRAF
SCHEMBL4040345 0.80 AXL (1.00) FLT3AXLPTK2AURKAJAK2
SCHEMBL4038836 0.79 FLT3 (0.81) FLT3AXLSMN1; SMN2PTK2IMPDH2
SCHEMBL12845210 0.79 FLT3 (0.72) FLT3AXLSMN1; SMN2PTK2IMPDH2
SCHEMBL1474336 0.78 IMPDH2 (0.86) FLT3IMPDH2
SCHEMBL4039143 0.78 FLT3 (0.80) FLT3AXLSMN1; SMN2IMPDH2AURKA

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 762/4885SMN1; SMN2 3129/4885

“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.