SCHEMBL4043648

SCHEMBL4043648

CC(C)Oc1ccc(Nc2nc(N)n(-c3ccccc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.60
AXL P30530 2/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 3/20 0.49
IMPDH2 P12268 1/20 0.48
MAPK1 P28482 1/20 0.45
GLA P06280 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADORA2A P29274 1/20 0.45
KIT P10721 1/20 0.44
SYK P43405 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BCL2 P10415 1/20 0.43
MDM2 Q00987 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL4039312 0.84 FLT3 (0.62) FLT3AXLALDH1A1LMNAIMPDH2
SCHEMBL4039583 0.83 FLT3 (0.65) FLT3AXLKIT
SCHEMBL4039280 0.82 FLT3 (0.60) FLT3AXLALDH1A1LMNAIMPDH2
SCHEMBL4047768 0.82 FLT3 (0.64) FLT3ALDH1A1LMNAIMPDH2MAPK1
SCHEMBL4036626 0.82 BACE1 (0.45) FLT3AXLSMN1; SMN2KIT
SCHEMBL4039213 0.81 FLT3 (0.64) FLT3AXLALDH1A1LMNAIMPDH2
SCHEMBL4038398 0.79 FLT3 (0.62) FLT3AXLALDH1A1LMNAIMPDH2
SCHEMBL13963308 0.79 AXL (0.50) FLT3AXLKITSYK
SCHEMBL12779226 0.78 FLT3 (0.60) FLT3ALDH1A1LMNAIMPDH2MAPK1
SCHEMBL4043451 0.77 FLT3 (0.63) FLT3AXLALDH1A1LMNAIMPDH2

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 220/4885AXL 762/4885ALDH1A1 3235/4885

“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.