SCHEMBL4046926

SCHEMBL4046926

CCCCOc1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AXL P30530 8/20 0.73
FLT3 P36888 11/20 0.71
KIT P10721 7/20 0.64
IRAK4 Q9NWZ3 3/20 0.62
AURKA O14965 2/20 0.62
JAK2 O60674 1/20 0.62
BACE1 P56817 6/20 0.56

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
SCHEMBL4041216 0.91 AXL (0.69) AXLFLT3KITIRAK4AURKA
SCHEMBL3961937 0.86 FLT3 (0.73) AXLFLT3KITIRAK4AURKA
SCHEMBL29929245 0.84 AXL (1.00) AXLFLT3BACE1
SCHEMBL4991031 0.84 AXL (1.00) AXLFLT3BACE1
SCHEMBL4043612 0.84 FLT3 (0.69) AXLFLT3KITIRAK4AURKA
SCHEMBL4042297 0.84 FLT3 (0.66) AXLFLT3KITIRAK4AURKA
SCHEMBL4036466 0.83 FLT3 (1.00) AXLFLT3KITBACE1
SCHEMBL4039583 0.83 FLT3 (0.65) AXLFLT3KITIRAK4AURKA
SCHEMBL4038487 0.83 FLT3 (0.73) AXLFLT3KITIRAK4AURKA
SCHEMBL4037878 0.82 FLT3 (0.73) AXLFLT3KITIRAK4AURKA

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 8 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
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 AXL 762/4885FLT3 220/4885KIT 1144/4885

“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.