SCHEMBL4044379

SCHEMBL4044379

COc1ccccc1Nc1nc(N)n(-c2ncc(C#N)cn2)n1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 12/20 0.61
IRAK4 Q9NWZ3 6/20 0.61
KIT P10721 5/20 0.61
AURKA O14965 3/20 0.53
JAK2 O60674 2/20 0.43
AXL P30530 1/20 0.43
MAPT P10636 2/20 0.42
EGFR P00533 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
JAK3 P52333 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LRRK2 Q5S007 1/20 0.41

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
SCHEMBL4039373 0.87 FLT3 (0.72) FLT3IRAK4KITAURKAJAK2
SCHEMBL4038580 0.83 FLT3 (0.57) FLT3IRAK4KITAURKAJAK2
SCHEMBL4036426 0.76 FLT3 (1.00) FLT3IRAK4KITAURKAJAK2
SCHEMBL4041596 0.75 FLT3 (0.64) FLT3IRAK4KITAURKAJAK2
SCHEMBL4036447 0.75 FLT3 (0.72) FLT3IRAK4KITAURKAJAK2
SCHEMBL4036648 0.75 FLT3 (0.62) FLT3IRAK4KITAURKAJAK2
SCHEMBL4040322 0.74 FLT3 (0.67) FLT3IRAK4KITAURKAJAK2
SCHEMBL12779832 0.74 FLT3 (0.70) FLT3IRAK4KITAURKAJAK2
SCHEMBL4038353 0.73 FLT3 (0.67) FLT3IRAK4KITAURKAJAK2
SCHEMBL4047573 0.73 FLT3 (0.70) FLT3IRAK4KITAURKAMAPT

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 220/4885IRAK4 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.