SCHEMBL5538647

SCHEMBL5538647

COc1nc(Nc2ccc3c(c2)O[C@H](c2ccccc2)CN(C)C3)ccc1-c1cnn(C(=O)OC(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.37
ROCK2 O75116 4/20 0.33
ROCK1 Q13464 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
TTK P33981 3/20 0.31
IKBKE Q14164 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
JAK3 P52333 3/20 0.31
PTK2 Q05397 3/20 0.31
JAK2 O60674 2/20 0.31
MAPT P10636 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 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
SCHEMBL3708508 0.89 SCD (0.35) SCDROCK2TTKIKBKETBK1
SCHEMBL3702628 0.80 IRAK4 (0.32)
SCHEMBL3745920 0.77 IRAK1 (0.36) ROCK2TTKIKBKETBK1
SCHEMBL3745922 0.77 IRAK1 (0.36) ROCK2TTKIKBKETBK1
SCHEMBL3706768 0.75 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3706764 0.75 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5533239 0.74 TTK (0.39) TTKJAK3JAK2CCNA2CDK2
SCHEMBL3716567 0.69 BRD4 (0.34) SCD
SCHEMBL3716564 0.69 BRD4 (0.34) SCD
SCHEMBL3709760 0.68 ROCK2 (0.39) ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SCD 1882/4885ROCK2 3428/4885ROCK1 3278/4885

“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.