SCHEMBL3936616

SCHEMBL3936616

CC(=O)Nc1nc(CCc2ccc(N)cc2)c(CN(C)C(=O)c2ccc(C(C)=O)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.49
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
CLK1 P49759 1/20 0.38
RAD52 P43351 1/20 0.37

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
SCHEMBL3936170 0.94 AOC3 (0.49) AOC3CLK1
SCHEMBL3934271 0.90 AOC3 (0.60) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5496060 0.88 AOC3 (0.47) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4877656 0.88 AOC3 (0.52) AOC3CLK1
Hydrochloric Acid SCHEMBL3934265 0.87 AOC3 (0.48) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4875403 0.85 AOC3 (0.53) AOC3CLK1
SCHEMBL3935868 0.84 AOC3 (0.42) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
Carbamic Acid SCHEMBL3935872 0.83 AOC3 (0.46) AOC3
Hydrochloric Acid SCHEMBL3942951 0.82 AOC3 (0.48) AOC3
SCHEMBL5545480 0.81 AOC3 (0.40) AOC3PIK3CDPIK3CAPIK3CBPIK3CG

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
EP-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA AOC3 386/4885PIK3CD 4021/4885PIK3CA 4220/4885

“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.