SCHEMBL3702547

SCHEMBL3702547

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.34
KCNH2 Q12809 4/20 0.34
GRM2 Q14416 3/20 0.34
TTK P33981 6/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
TYRO3 Q06418 3/20 0.32
AXL P30530 1/20 0.31
MERTK Q12866 1/20 0.31
IRAK1 P51617 1/20 0.31
PDK2 Q15119 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
SCHEMBL3700797 0.92 CHEK1 (0.33) CHEK1KCNH2GRM2TTKCCNA2
SCHEMBL3698785 0.89 TTK (0.34) CHEK1KCNH2GRM2TTKCCNA2
SCHEMBL3713305 0.88 CHEK1 (0.33) CHEK1KCNH2TTKCCNA2CDK2
SCHEMBL3697562 0.86 CREBBP (0.32)
SCHEMBL3705139 0.84 PSEN1 (0.36) GRM2
SCHEMBL3706350 0.84 PIK3CD (0.30)
SCHEMBL3703137 0.84 TTK (0.34) CHEK1KCNH2GRM2TTKCCNA2
SCHEMBL3706768 0.82 PSEN1 (0.36) CHEK1KCNH2TTKCCNA2CDK2
SCHEMBL3706764 0.82 PSEN1 (0.36) CHEK1KCNH2TTKCCNA2CDK2
SCHEMBL3706810 0.82 CHEK1 (0.34) CHEK1KCNH2TTKCCNA2CDK2

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 CHEK1 4491/4885KCNH2 2881/4885GRM2 2291/4885

“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.