SCHEMBL4047476

SCHEMBL4047476

COc1cc(Nc2nc(N)n(-c3ccc(C(F)(F)F)cn3)n2)cc2c1OCO2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.48
FLT3 P36888 11/20 0.46
KIT P10721 4/20 0.46
IRAK4 Q9NWZ3 4/20 0.46
AURKA O14965 2/20 0.46
JAK2 O60674 1/20 0.46
PTK2 Q05397 1/20 0.40
BACE1 P56817 1/20 0.39
PLK1 P53350 1/20 0.38
IMPDH2 P12268 1/20 0.38
ULK1 O75385 1/20 0.38
EPHB4 P54760 1/20 0.37

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
SCHEMBL4040721 0.88 AXL (0.51) AXLFLT3KITIRAK4AURKA
SCHEMBL4042371 0.84 ULK1 (0.54) FLT3KITIRAK4AURKAJAK2
SCHEMBL4219839 0.83 AXL (0.70) AXLFLT3KITIRAK4AURKA
SCHEMBL4042429 0.79 AXL (0.52) AXLFLT3KITIRAK4AURKA
SCHEMBL4045998 0.75 FLT3 (0.68) AXLFLT3KITIRAK4AURKA
SCHEMBL4042334 0.71 ULK1 (0.47) AXLFLT3KITIRAK4AURKA
SCHEMBL4041073 0.71 FLT3 (0.67) AXLFLT3KITIRAK4AURKA
SCHEMBL4040684 0.68 AXL (0.59) AXLFLT3KITIRAK4AURKA
SCHEMBL4044254 0.67 FLT3 (0.72) AXLFLT3KITIRAK4AURKA
SCHEMBL4046024 0.67 FLT3 (0.56) AXLFLT3KITIRAK4AURKA

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 AXL 762/4885FLT3 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.