SCHEMBL2086846

SCHEMBL2086846

Nc1nc(Nc2ccc3c(c2)OCO3)nn1-c1cc(Cl)ncn1.Nc1nc(Nc2ccc3c(c2)OCO3)nn1-c1ccncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
FLT3 P36888 8/20 0.40
KIT P10721 6/20 0.40
CLK1 P49759 2/20 0.40
DYRK1A Q13627 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
AURKA O14965 2/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
OGA O60502 1/20 0.40
CLK2 P49760 1/20 0.40
JAK2 O60674 1/20 0.40
ULK1 O75385 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 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
SCHEMBL6224723 0.93 ULK1 (0.44) IDO1TDO2FLT3KITCLK1
SCHEMBL2089408 0.92 IDO1 (0.50) IDO1TDO2FLT3KITCLK1
SCHEMBL12845571 0.81 LMNA (0.45) IDO1TDO2FLT3KITCLK1
SCHEMBL4044007 0.79 FLT3 (0.62) FLT3KITAURKAIRAK4JAK2
SCHEMBL4043317 0.78 FLT3 (0.52) FLT3KITAURKAIRAK4JAK2
SCHEMBL12780376 0.78 FLT3 (0.43) FLT3KITCLK1DYRK1ACLK4
SCHEMBL4042334 0.75 ULK1 (0.47) IDO1TDO2FLT3KITCLK1
SCHEMBL4046024 0.75 FLT3 (0.56) IDO1TDO2FLT3KITCLK1
SCHEMBL13963975 0.75 AXL (0.44) FLT3KITAURKAIRAK4JAK2
SCHEMBL2086579 0.74 FLT3 (0.48) FLT3KITAURKAIRAK4JAK2

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 4 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-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-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-10-28 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 (2 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 IDO1 1624/4885TDO2 2608/4885FLT3 220/4885
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases MAP3K20, MAP3K1, MAP3K5 IDO1 1624/4885TDO2 2608/4885FLT3 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.