SCHEMBL3745922

SCHEMBL3745922

COc1nc(Nc2ccc3c(n2)O[C@H](c2ccccc2)CN(C(=O)OC(C)(C)C)C3)ccc1-c1cnn(C)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 2/20 0.36
USP30 Q70CQ3 2/20 0.36
TTK P33981 2/20 0.35
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
RET P07949 3/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
ROCK2 O75116 1/20 0.34
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
NAMPT P43490 1/20 0.33
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL3745920 1.00 IRAK1 (0.36) IRAK1USP30TTKHDAC8HDAC6
SCHEMBL3708508 0.88 SCD (0.35) TTKHDAC8HDAC6HDAC1ROCK2
SCHEMBL3746191 0.87 USP30 (0.41) IRAK1USP30TTKHDAC8HDAC6
SCHEMBL3746196 0.87 USP30 (0.41) IRAK1USP30TTKHDAC8HDAC6
SCHEMBL3706764 0.85 PSEN1 (0.36) TTKIRAK4TYRO3MERTKDYRK1A
SCHEMBL3706768 0.85 PSEN1 (0.36) TTKIRAK4TYRO3MERTKDYRK1A
SCHEMBL3702628 0.81 IRAK4 (0.32) IRAK4
SCHEMBL3707660 0.78 TYRO3 (0.36) IRAK1TTKIRAK4TYRO3MERTK
SCHEMBL3707669 0.78 TYRO3 (0.36) IRAK1TTKIRAK4TYRO3MERTK
SCHEMBL5538647 0.77 SCD (0.37) TTKROCK2IKBKETBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies BACE1, APP, BACE2 IRAK1 3486/4885USP30 2817/4885TTK 4150/4885

“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.