SCHEMBL4044506

SCHEMBL4044506

CN(C)CCNc1cc(-n2nc(N)nc2Nc2ccc(N3CCOCC3)cc2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.45
FLT3 P36888 2/20 0.45
AURKA O14965 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK10 P53779 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
JAK1 P23458 4/20 0.43
JAK2 O60674 4/20 0.43
LCK P06239 4/20 0.42
JAK3 P52333 4/20 0.41
TYK2 P29597 1/20 0.40
PIK3CB P42338 1/20 0.39
SYK P43405 1/20 0.39
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 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
SCHEMBL4046813 0.86 FLT3 (0.59) KITFLT3AURKAIRAK4MAPK13
SCHEMBL4041423 0.79 AURKA (0.45) KITFLT3AURKAMAPK10MAPK14
SCHEMBL4039188 0.76 FLT3 (0.70) KITFLT3AURKAIRAK4JAK2
SCHEMBL4039884 0.75 FLT3 (0.55) KITFLT3AURKAIRAK4MAPK13
SCHEMBL4038076 0.72 FLT3 (0.56) KITFLT3IRAK4ABL1BCR
SCHEMBL2178686 0.70 JAK3 (0.63) MAPK10JAK1JAK2JAK3TYK2
SCHEMBL4043076 0.69 FLT3 (0.73) KITFLT3AURKAIRAK4JAK2
SCHEMBL4044461 0.69 JAK2 (0.53) KITFLT3AURKAIRAK4MAPK10
SCHEMBL12780278 0.68 FLT3 (0.55) KITFLT3AURKAIRAK4JAK1
SCHEMBL12780690 0.68 FLT3 (0.53) KITFLT3AURKAIRAK4JAK1

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 KIT 1144/4885FLT3 220/4885AURKA 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.