SCHEMBL4036626

SCHEMBL4036626

CC(C)Oc1ccc(Nc2nc(N)n(-c3ccc4ccccc4n3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.45
FLT3 P36888 7/20 0.44
KIT P10721 4/20 0.44
AXL P30530 8/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
AURKA O14965 1/20 0.43
JAK2 O60674 1/20 0.43
PDE10A Q9Y233 1/20 0.42
INSR P06213 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4039583 0.82 FLT3 (0.65) BACE1FLT3KITAXLIRAK4
SCHEMBL4043648 0.82 FLT3 (0.60) FLT3KITAXLSMN1; SMN2
SCHEMBL13963308 0.80 AXL (0.50) BACE1FLT3KITAXLIRAK4
SCHEMBL4041588 0.78 FLT3 (0.70) FLT3KITAXLIRAK4AURKA
SCHEMBL4041532 0.78 NPY5R (0.47) BACE1FLT3KITAXLIRAK4
SCHEMBL4994400 0.77 AXL (0.75) BACE1AXLINSR
SCHEMBL4038250 0.76 FLT3 (0.59) BACE1FLT3KITAXLIRAK4
SCHEMBL12779052 0.73 MAPK1 (0.42) BACE1FLT3KITIRAK4AURKA
SCHEMBL4040376 0.70 FLT3 (0.44) BACE1FLT3KITAXLIRAK4
SCHEMBL12780057 0.69 FLT3 (0.49) BACE1FLT3KITAXLIRAK4

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 BACE1 3044/4885FLT3 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.