SCHEMBL4036203

SCHEMBL4036203

CCOc1cccc(-n2nc(Nc3ccc(N(CC)CC)cc3)nc2N)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AXL P30530 8/20 0.52
BACE1 P56817 7/20 0.52
FLT3 P36888 8/20 0.47
KIT P10721 6/20 0.47
IRAK4 Q9NWZ3 2/20 0.44
AURKA O14965 1/20 0.44
JAK2 O60674 1/20 0.44
NPY5R Q15761 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38

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
SCHEMBL4040196 0.85 FLT3 (0.48) AXLBACE1FLT3KITIRAK4
SCHEMBL4044428 0.83 FLT3 (0.69) AXLFLT3KITIRAK4AURKA
SCHEMBL4043866 0.80 FLT3 (0.69) AXLBACE1FLT3KITIRAK4
SCHEMBL4041532 0.79 NPY5R (0.47) AXLBACE1FLT3KITIRAK4
SCHEMBL4043603 0.78 FLT3 (0.57) FLT3KITNPY5R
SCHEMBL12780244 0.78 FLT3 (0.48) AXLBACE1FLT3KITIRAK4
SCHEMBL4037300 0.76 FLT3 (0.64) AXLFLT3KITIRAK4AURKA
SCHEMBL4043484 0.74 FLT3 (0.57) AXLBACE1FLT3KITIRAK4
SCHEMBL4040982 0.74 BACE1 (0.46) AXLBACE1FLT3KIT
SCHEMBL4041216 0.73 AXL (0.69) AXLBACE1FLT3KITIRAK4

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 AXL 762/4885BACE1 3044/4885FLT3 220/4885

“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.