SCHEMBL4041983

SCHEMBL4041983

CC(C)Oc1ccc(Nc2nc(N)n(-c3ccc(C#N)cc3)n2)cc1OC(F)F

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.69
IRAK4 Q9NWZ3 3/20 0.41
JAK2 O60674 3/20 0.41
AURKA O14965 2/20 0.41
KIT P10721 2/20 0.41
IMPDH2 P12268 1/20 0.40
AXL P30530 3/20 0.40
TBK1 Q9UHD2 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
EIF4E P06730 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
INSR P06213 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL2086457 1.00 FLT3 (0.69) FLT3IRAK4JAK2AURKAKIT
SCHEMBL6267692 0.85 FLT3 (0.50) FLT3JAK2TBK1
SCHEMBL2088943 0.82 FLT3 (1.00) FLT3IRAK4JAK2AURKAKIT
SCHEMBL4040469 0.82 FLT3 (0.73) FLT3IRAK4JAK2AURKAKIT
SCHEMBL4044051 0.81 FLT3 (0.62) FLT3IRAK4JAK2AURKAKIT
SCHEMBL4040180 0.81 FLT3 (0.60) FLT3IRAK4JAK2AURKAKIT
SCHEMBL4039295 0.79 FLT3 (0.58) FLT3IRAK4JAK2AURKAKIT
SCHEMBL2087674 0.78 FLT3 (0.68) FLT3IRAK4JAK2AURKAKIT
SCHEMBL4041009 0.78 FLT3 (0.68) FLT3IRAK4JAK2AURKAKIT
SCHEMBL2086558 0.76 FLT3 (0.80) FLT3IRAK4JAK2AURKAKIT

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-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 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 FLT3 220/4885IRAK4 566/4885JAK2 112/4885

“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.