SCHEMBL3704373

SCHEMBL3704373

COc1nc(Nc2ccc3c(n2)OC(c2cccc(C)n2)CN(C)C3)ccc1-c1cnn(C)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.35
TTK P33981 9/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
CHEK1 O14757 3/20 0.33
KCNH2 Q12809 1/20 0.33
HCRTR1 O43613 1/20 0.32
CHEK2 O96017 2/20 0.31
FLT3 P36888 1/20 0.31
PFKFB3 Q16875 1/20 0.31

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 0.87 TTK (0.35) IRAK4TTKCCNA2CDK2CHEK1
SCHEMBL3699631 0.87 CHEK1 (0.34) IRAK4TTKCCNA2CDK2CHEK1
SCHEMBL3706764 0.87 PSEN1 (0.36) IRAK4TTKCCNA2CDK2CHEK1
SCHEMBL3706768 0.87 PSEN1 (0.36) IRAK4TTKCCNA2CDK2CHEK1
SCHEMBL3703452 0.85 CHEK1 (0.32) IRAK4TTKCCNA2CDK2CHEK1
SCHEMBL3709135 0.84 TTK (0.35) IRAK4TTKCCNA2CDK2CHEK1
SCHEMBL3703694 0.83 CHEK1 (0.34) IRAK4TTKCCNA2CDK2CHEK1
SCHEMBL3741357 0.82 FLT3 (0.36) TTKCCNA2CDK2PIK3CDPIK3CB
SCHEMBL3702547 0.79 CHEK1 (0.34) IRAK4TTKCCNA2CDK2CHEK1
SCHEMBL3700797 0.78 CHEK1 (0.33) IRAK4TTKCCNA2CDK2CHEK1

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 10 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-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO claimed
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
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
WO-2009054787-A1 1,2,4-TRIAZOLE CARBOXYLIC ACID DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO 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 (2 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 4669/4885CCNA2 4448/4885
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies BACE1, APP, BACE2 IRAK4 4372/4885TTK 4150/4885CCNA2 3954/4885

“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.