SCHEMBL4043364

SCHEMBL4043364

NC(=O)C1CCN(c2cc(-n3nc(Nc4ccccc4)nc3N)ncn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.47
FLT3 P36888 9/20 0.46
KIT P10721 7/20 0.46
JAK2 O60674 2/20 0.44
JAK3 P52333 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AURKA O14965 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
AXL P30530 2/20 0.41
BACE1 P56817 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SCN9A Q15858 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
SCHEMBL4036767 0.89 JAK2 (0.47) LOXL2FLT3KITJAK2JAK3
SCHEMBL4043440 0.85 FLT3 (0.44) LOXL2FLT3KITJAK3AXL
SCHEMBL2087268 0.82 POLB (0.50) FLT3KITJAK2AURKAIRAK4
SCHEMBL2087446 0.79 JAK2 (0.47) LOXL2FLT3KITJAK2JAK3
SCHEMBL12780253 0.76 FLT3 (0.49) FLT3KITJAK2JAK3AURKA
SCHEMBL12779811 0.75 FLT3 (0.50) FLT3KITJAK2JAK3AURKA
SCHEMBL12780769 0.75 FLT3 (0.42) FLT3KITJAK2JAK3AURKA
SCHEMBL14369932 0.75 FLT3 (0.42) FLT3KITJAK2JAK3AXL
SCHEMBL2086579 0.74 FLT3 (0.48) FLT3KITJAK2AURKAIRAK4
SCHEMBL12845403 0.74 FLT3 (0.50) FLT3KITJAK2TDP1AURKA

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
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
CN-1738615-A Diaminotriazoles as inhibitors of protein kinases VERTEX PHARMA (US) 2006-02-22 CN 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 LOXL2 4030/4885FLT3 220/4885KIT 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.