SCHEMBL4036045

SCHEMBL4036045

Nc1nc(Nc2ccc(N3CCCCC3)cc2)nn1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.58
KIT P10721 1/20 0.58
AXL P30530 4/20 0.54
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
NR4A1 P22736 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PTGS2 P35354 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 3/20 0.47
BACE1 P56817 2/20 0.47
IMPDH2 P12268 1/20 0.47
KDR P35968 1/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL4042120 0.89 FLT3 (0.73) FLT3KITAXLMAPTMAPK1
SCHEMBL4044407 0.88 FLT3 (0.74) FLT3KITAXLTDP1KDR
SCHEMBL4038359 0.84 FLT3 (0.82) FLT3KITAXLKDR
SCHEMBL4047768 0.83 FLT3 (0.64) FLT3ALDH1A1MAPK1LMNAIMPDH2
SCHEMBL4233948 0.79 AXL (0.77) AXLBACE1
SCHEMBL4036725 0.78 FLT3 (0.62) FLT3KITAXLMAPTMAPK1
SCHEMBL4039312 0.77 FLT3 (0.62) FLT3KITAXLALDH1A1MAPK1
SCHEMBL14275575 0.77 BACE1 (0.75) FLT3KITAXLMAPTMAPK1
SCHEMBL4036342 0.76 FLT3 (0.66) FLT3KITALDH1A1LMNAGLA
SCHEMBL12779226 0.76 FLT3 (0.60) FLT3KITALDH1A1MAPK1LMNA

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 220/4885KIT 1144/4885AXL 762/4885

“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.