SCHEMBL4040972

SCHEMBL4040972

COc1cc(Nc2nc(N)n(-c3ccc(C#N)cc3)n2)cc(OCCN2CC(C)OC(C)C2)c1OC

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.57
AXL P30530 4/20 0.45
AURKA O14965 1/20 0.44
KIT P10721 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
TBK1 Q9UHD2 1/20 0.40
IMPDH2 P12268 1/20 0.39
SRC P12931 4/20 0.39
INSR P06213 1/20 0.39
BACE1 P56817 1/20 0.38
ATM Q13315 1/20 0.38
KCNH2 Q12809 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL4038191 0.92 FLT3 (0.58) FLT3AXLAURKAKITIRAK4
SCHEMBL12779915 0.88 FLT3 (0.59) FLT3AXLAURKAKITIRAK4
SCHEMBL4043027 0.87 FLT3 (0.61) FLT3AXLAURKAKITIRAK4
SCHEMBL4036384 0.83 FLT3 (0.60) FLT3AXLAURKAKITIRAK4
SCHEMBL4038352 0.83 FLT3 (0.80) FLT3AXLAURKAKITIRAK4
SCHEMBL4043508 0.83 FLT3 (0.61) FLT3AXLAURKAKITIRAK4
SCHEMBL4042878 0.82 FLT3 (0.65) FLT3AXLAURKAKITIRAK4
SCHEMBL4036800 0.81 FLT3 (0.61) FLT3AXLAURKAKITIRAK4
SCHEMBL4040965 0.80 FLT3 (0.61) FLT3AXLAURKAKITIRAK4
SCHEMBL4043223 0.79 FLT3 (0.60) FLT3AXLAURKAKITIRAK4

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-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 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 220/4885AXL 762/4885AURKA 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.