SCHEMBL4040684

SCHEMBL4040684

COc1cc(Nc2nc(N)n(-c3cc(C(F)(F)F)cc(C)n3)n2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.59
FLT3 P36888 8/20 0.57
AURKA O14965 3/20 0.47
KDR P35968 2/20 0.47
AURKB Q96GD4 2/20 0.47
GAK O14976 1/20 0.47
JAK2 O60674 1/20 0.46
KIT P10721 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
PLK1 P53350 2/20 0.46
PLK3 Q9H4B4 1/20 0.44
PTK2 Q05397 2/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL4038405 0.86 AXL (0.64) AXLFLT3AURKAJAK2KIT
SCHEMBL4044658 0.81 KIT (0.46) AXLFLT3AURKAJAK2KIT
SCHEMBL12780922 0.75 FLT3 (0.54) AXLFLT3AURKAKDRAURKB
SCHEMBL4038683 0.74 FLT3 (0.61) AXLFLT3AURKAJAK2KIT
SCHEMBL4040345 0.74 AXL (1.00) AXLFLT3AURKAJAK2KIT
SCHEMBL4036749 0.73 FLT3 (1.00) AXLFLT3AURKAJAK2KIT
SCHEMBL4047467 0.72 FLT3 (0.80) AXLFLT3AURKAJAK2KIT
SCHEMBL4039143 0.72 FLT3 (0.80) AXLFLT3AURKAJAK2KIT
SCHEMBL12781032 0.71 FLT3 (0.60) AXLFLT3AURKAKDRAURKB
SCHEMBL4036286 0.71 FLT3 (0.64) AXLFLT3AURKAJAK2KIT

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 AXL 762/4885FLT3 220/4885AURKA 181/4885

“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.