SCHEMBL5533239

SCHEMBL5533239

COc1nc(Nc2ccc3c(c2)OC(c2cc(C)ccn2)CN(C)C3)ccc1-c1cnn(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 8/20 0.39
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
FLT3 P36888 2/20 0.37
AXL P30530 3/20 0.34
TYRO3 Q06418 3/20 0.34
MERTK Q12866 3/20 0.34
MAPK10 P53779 3/20 0.34
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
JAK2 O60674 1/20 0.33
EGFR P00533 1/20 0.33
JAK3 P52333 1/20 0.33
CHEK1 O14757 1/20 0.32
KCNH2 Q12809 1/20 0.32
ACVR1 Q04771 1/20 0.32

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
SCHEMBL3704450 0.89 TTK (0.35) TTKCCNA2CDK2FLT3FGFR3
SCHEMBL3699631 0.78 CHEK1 (0.34) TTKCCNA2CDK2TYRO3CHEK1
SCHEMBL3704373 0.76 IRAK4 (0.35) TTKCCNA2CDK2FLT3CHEK1
SCHEMBL5538647 0.74 SCD (0.37) TTKCCNA2CDK2JAK2JAK3
SCHEMBL3709135 0.73 TTK (0.35) TTKCCNA2CDK2AXLTYRO3
SCHEMBL3703694 0.72 CHEK1 (0.34) TTKCCNA2CDK2TYRO3CHEK1
SCHEMBL3706768 0.72 PSEN1 (0.36) TTKCCNA2CDK2AXLTYRO3
SCHEMBL3706764 0.72 PSEN1 (0.36) TTKCCNA2CDK2AXLTYRO3
SCHEMBL3703452 0.71 CHEK1 (0.32) TTKCCNA2CDK2CHEK1KCNH2
SCHEMBL3702547 0.68 CHEK1 (0.34) TTKCCNA2CDK2AXLTYRO3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 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-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases APP, BACE1, PSEN1 TTK 4669/4885CCNA2 4448/4885CDK2 4588/4885

“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.