SCHEMBL3708909

SCHEMBL3708909

COc1nc(Nc2ccc3c(n2)OC(c2nc(C)cs2)C(C)N(C)C3)ccc1-c1cnn(C)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.33
TTK P33981 5/20 0.32
MAP4K1 Q92918 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL3703452 0.85 CHEK1 (0.32) IRAK4TTKCCNA2CDK2
SCHEMBL3703479 0.82 PSEN1 (0.40)
SCHEMBL3705554 0.76 TTK (0.33) TTK
SCHEMBL4565602 0.75 NTRK1 (0.30) TTKCCNA2CDK2
SCHEMBL3709069 0.75 NTRK1 (0.30) TTKCCNA2CDK2
SCHEMBL3704373 0.75 IRAK4 (0.35) IRAK4TTKPIK3CDPIK3CBPIK3CG
SCHEMBL3703694 0.74 CHEK1 (0.34) IRAK4TTKMAP4K1CCNA2CDK2
SCHEMBL3706764 0.74 PSEN1 (0.36) IRAK4TTKMAP4K1CCNA2CDK2
SCHEMBL3706768 0.74 PSEN1 (0.36) IRAK4TTKMAP4K1CCNA2CDK2
SCHEMBL3709135 0.72 TTK (0.35) IRAK4TTKMAP4K1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO claimed
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
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
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 IRAK4 4381/4885TTK 4669/4885MAP4K1 4187/4885

“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.