SCHEMBL3702608

SCHEMBL3702608

COc1nc(Nc2cc(C)c3c(n2)OC(C2CCCO2)CN(C)C3)ccc1-c1cnn(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.36
CHEK1 O14757 4/20 0.34
KCNH2 Q12809 3/20 0.34
TTK P33981 6/20 0.33
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
FGFR1 P11362 4/20 0.32
FGFR2 P21802 4/20 0.32
FGFR4 P22455 4/20 0.32
FGFR3 P22607 4/20 0.32
KDR P35968 4/20 0.32
USP30 Q70CQ3 1/20 0.32
GRM2 Q14416 2/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL3704880 0.91 CHEK1 (0.36) IRAK1CHEK1KCNH2TTKUSP30
SCHEMBL3698785 0.83 TTK (0.34) IRAK1CHEK1KCNH2TTKGRM2
SCHEMBL3705554 0.80 TTK (0.33) CHEK1KCNH2TTK
SCHEMBL3706810 0.73 CHEK1 (0.34) IRAK1CHEK1KCNH2TTKCCNA2
SCHEMBL3702547 0.71 CHEK1 (0.34) IRAK1CHEK1KCNH2TTKGRM2
SCHEMBL3699631 0.71 CHEK1 (0.34) CHEK1KCNH2TTKCCNA2CDK2
SCHEMBL3701407 0.71 CHEK1 (0.34) CHEK1KCNH2TTKUSP30CCNA2
SCHEMBL3706768 0.70 PSEN1 (0.36) CHEK1KCNH2TTKDYRK1APSEN1
SCHEMBL3706764 0.70 PSEN1 (0.36) CHEK1KCNH2TTKDYRK1APSEN1
SCHEMBL3700797 0.70 CHEK1 (0.33) IRAK1CHEK1KCNH2TTKWNT1

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 5 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 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 IRAK1 3918/4885CHEK1 4491/4885KCNH2 2881/4885

“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.