SCHEMBL4038191

SCHEMBL4038191

COc1cc(Nc2nc(N)n(-c3ccc(C#N)cc3)n2)cc(OC)c1OCCCN1CC(C)OC(C)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.58
AURKA O14965 2/20 0.44
KIT P10721 2/20 0.44
IRAK4 Q9NWZ3 2/20 0.44
AXL P30530 5/20 0.42
ATM Q13315 1/20 0.41
TBK1 Q9UHD2 1/20 0.39
IMPDH2 P12268 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
JAK2 O60674 1/20 0.37
INSR P06213 2/20 0.36
KDR P35968 2/20 0.36
KDM4E B2RXH2 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL4040972 0.92 FLT3 (0.57) FLT3AURKAKITIRAK4AXL
SCHEMBL4043223 0.87 FLT3 (0.60) FLT3AURKAKITIRAK4AXL
SCHEMBL4036173 0.87 FLT3 (0.61) FLT3AURKAKITIRAK4AXL
SCHEMBL4043508 0.83 FLT3 (0.61) FLT3AURKAKITIRAK4AXL
SCHEMBL4036384 0.83 FLT3 (0.60) FLT3AURKAKITIRAK4AXL
SCHEMBL4042943 0.82 FLT3 (0.57) FLT3AURKAKITIRAK4AXL
SCHEMBL4039131 0.80 FLT3 (0.64) FLT3AURKAKITIRAK4AXL
SCHEMBL4038352 0.80 FLT3 (0.80) FLT3AURKAKITIRAK4AXL
SCHEMBL4038611 0.80 FLT3 (0.62) FLT3AURKAKITIRAK4AXL
SCHEMBL12779915 0.79 FLT3 (0.59) FLT3AURKAKITIRAK4AXL

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 220/4885AURKA 181/4885KIT 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.