SCHEMBL4043484

SCHEMBL4043484

CCN(CC)c1ccc(Nc2nc(N)n(-c3ccc(C#N)cn3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.57
IRAK4 Q9NWZ3 3/20 0.57
KIT P10721 5/20 0.47
AURKA O14965 2/20 0.47
AXL P30530 6/20 0.44
BACE1 P56817 5/20 0.44
CSNK2A1 P68400 1/20 0.42
JAK2 O60674 2/20 0.41
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCND2 P30279 1/20 0.39
CCND3 P30281 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
SCHEMBL4044428 0.80 FLT3 (0.69) FLT3IRAK4KITAURKAAXL
SCHEMBL4038250 0.80 FLT3 (0.59) FLT3IRAK4KITAURKAAXL
SCHEMBL12780244 0.77 FLT3 (0.48) FLT3IRAK4KITAURKAAXL
SCHEMBL4036162 0.77 FLT3 (0.72) FLT3IRAK4KITAURKAAXL
SCHEMBL4041532 0.76 NPY5R (0.47) FLT3IRAK4KITAURKAAXL
SCHEMBL4040196 0.75 FLT3 (0.48) FLT3IRAK4KITAURKAAXL
SCHEMBL4046024 0.75 FLT3 (0.56) FLT3IRAK4KITAURKAAXL
SCHEMBL4043603 0.74 FLT3 (0.57) FLT3KITCSNK2A1
SCHEMBL4036203 0.74 AXL (0.52) FLT3IRAK4KITAURKAAXL
SCHEMBL4041686 0.74 FLT3 (0.66) FLT3IRAK4KITAURKAAXL

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 FLT3 220/4885IRAK4 566/4885KIT 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.