SCHEMBL4038353

SCHEMBL4038353

COc1ccccc1Nc1nc(N)n(-c2nccs2)n1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.67
IRAK4 Q9NWZ3 5/20 0.67
KIT P10721 4/20 0.67
AURKA O14965 4/20 0.50
JAK2 O60674 2/20 0.47
AXL P30530 1/20 0.47
EGFR P00533 1/20 0.46
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
JAK3 P52333 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
DYRK1A Q13627 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
SCHEMBL4037162 0.86 FLT3 (0.49) FLT3IRAK4KITAURKAJAK2
SCHEMBL4043844 0.86 FLT3 (0.49) FLT3IRAK4KITAURKAJAK2
SCHEMBL4044502 0.81 FLT3 (0.65) FLT3IRAK4KITAURKAJAK2
SCHEMBL4036648 0.81 FLT3 (0.62) FLT3IRAK4KITAURKAJAK2
SCHEMBL4036426 0.80 FLT3 (1.00) FLT3IRAK4KITAURKAJAK2
SCHEMBL4046539 0.80 CYP1A1 (0.49) FLT3IRAK4KITAURKAJAK2
SCHEMBL4037206 0.79 FLT3 (0.46) FLT3IRAK4KITAURKAJAK2
SCHEMBL4043372 0.79 ZAP70 (0.50) FLT3IRAK4KITAURKAJAK2
SCHEMBL4038754 0.78 FLT3 (0.53) FLT3IRAK4KITAURKAJAK2
SCHEMBL4043468 0.74 ABCB1 (0.40) FLT3IRAK4KITAURKAJAK2

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.