SCHEMBL14215733

SCHEMBL14215733

CC(=O)Nc1nc(CCc2ccc(NC3=NCCN3)cc2)c(Cc2ccc(S)cc2)s1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 14/20 0.61
ADRA2A P08913 5/20 0.47
ADRA2B P18089 4/20 0.47
ADRA2C P18825 4/20 0.47
PTGIR P43119 1/20 0.43
GPR65 Q8IYL9 1/20 0.41

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
SCHEMBL4870583 0.89 AOC3 (0.61) AOC3ADRA2AADRA2BADRA2CPTGIR
SCHEMBL14019545 0.86 AOC3 (0.55) AOC3ADRA2AADRA2BADRA2CPTGIR
SCHEMBL14045057 0.80 AOC3 (0.56) AOC3
SCHEMBL14215639 0.79 AOC3 (0.57) AOC3
SCHEMBL14044988 0.79 AOC3 (0.60) AOC3
SCHEMBL14045043 0.79 AOC3 (0.55) AOC3
SCHEMBL13559407 0.77 AOC3 (0.55) AOC3
SCHEMBL4871182 0.76 AOC3 (1.00) AOC3ADRA2AADRA2BADRA2C
SCHEMBL14045058 0.73 AOC3 (0.58) AOC3
SCHEMBL14045061 0.73 AOC3 (0.55) AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB AOC3 202/4885ADRA2A 2484/4885ADRA2B 1988/4885

“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.