SCHEMBL4039263

SCHEMBL4039263

COc1ccc(Nc2nc(N)n(-c3ccccc3)n2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 1.00
KIT P10721 2/20 0.71
IRAK4 Q9NWZ3 2/20 0.71
AURKA O14965 1/20 0.71
JAK2 O60674 1/20 0.71
IMPDH2 P12268 1/20 0.67
AXL P30530 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 2/20 0.50
NTRK1 P04629 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.49
PLK1 P53350 1/20 0.48
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47

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
SCHEMBL4042636 0.89 FLT3 (0.80) FLT3KITIRAK4AURKAJAK2
SCHEMBL4038992 0.89 FLT3 (0.80) FLT3KITIRAK4AURKAJAK2
SCHEMBL4036749 0.88 FLT3 (1.00) FLT3KITIRAK4AURKAJAK2
SCHEMBL12779220 0.86 FLT3 (1.00) FLT3KITIRAK4AURKAJAK2
SCHEMBL2088943 0.85 FLT3 (1.00) FLT3KITIRAK4AURKAJAK2
SCHEMBL4048598 0.84 FLT3 (1.00) FLT3KITIRAK4AURKAJAK2
SCHEMBL4036811 0.84 FLT3 (0.72) FLT3KITIRAK4AURKAJAK2
SCHEMBL12845296 0.83 FLT3 (0.76) FLT3KITIRAK4AURKAJAK2
SCHEMBL4039212 0.83 FLT3 (1.00) FLT3KITIRAK4AURKAJAK2
SCHEMBL4044001 0.83 FLT3 (1.00) FLT3KITIRAK4AURKAJAK2

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 1144/4885IRAK4 566/4885

“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.