SCHEMBL3703137

SCHEMBL3703137

COc1nc(Nc2ccc3c(n2)OC(CC(F)(F)F)CN(C)C3C)ccc1-c1cnn(C)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTK P33981 7/20 0.34
GRM2 Q14416 3/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
IRAK1 P51617 1/20 0.32
CHEK1 O14757 2/20 0.32
KCNH2 Q12809 2/20 0.32
AXL P30530 1/20 0.31
TYRO3 Q06418 1/20 0.31
CETP P11597 1/20 0.31
USP30 Q70CQ3 1/20 0.30
PDE10A Q9Y233 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL3702547 0.84 CHEK1 (0.34) TTKGRM2IRAK4CCNA2CDK2
SCHEMBL3701407 0.84 CHEK1 (0.34) TTKIRAK4CCNA2CDK2CHEK1
SCHEMBL3698785 0.81 TTK (0.34) TTKGRM2IRAK4CCNA2CDK2
SCHEMBL3706735 0.81 HCRTR1 (0.33) TTKIRAK4CCNA2CDK2CHEK1
SCHEMBL4565304 0.81 HCRTR1 (0.33) TTKIRAK4CCNA2CDK2CHEK1
SCHEMBL3700797 0.76 CHEK1 (0.33) TTKGRM2IRAK4CCNA2CDK2
SCHEMBL3713305 0.72 CHEK1 (0.33) TTKIRAK4CCNA2CDK2CHEK1
SCHEMBL3697562 0.70 CREBBP (0.32) PDE10A
SCHEMBL3705139 0.69 PSEN1 (0.36) GRM2
SCHEMBL3706350 0.68 PIK3CD (0.30)

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 TTK 4669/4885GRM2 2291/4885IRAK4 4381/4885

“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.