SCHEMBL9998336

SCHEMBL9998336

COc1ccc(OC)c(Nc2nc3ccccc3nc2NS(=O)(=O)Cc2ccc(C(=O)O)[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 14/20 0.53
PIK3CD O00329 4/20 0.53
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
PTK2B Q14289 1/20 0.48
SHMT2 P34897 1/20 0.47

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
SCHEMBL2301918 0.79 PIK3CG (0.61) PIK3CGPIK3CD
SCHEMBL2300343 0.79 PIK3CD (0.62) PIK3CGPIK3CDALDH1A1MAPK1PTK2B
SCHEMBL2303766 0.78 PIK3CG (0.73) PIK3CGPIK3CD
SCHEMBL2301815 0.77 PIK3CG (0.61) PIK3CGPIK3CD
SCHEMBL2300757 0.77 PIK3CG (0.72) PIK3CGPIK3CD
SCHEMBL2301020 0.76 PIK3CD (0.72) PIK3CGPIK3CDALDH1A1MAPK1PTK2B
SCHEMBL2303925 0.76 PIK3CD (0.69) PIK3CGPIK3CD
SCHEMBL188285 0.76 PIK3CD (0.81) PIK3CGPIK3CDALDH1A1
SCHEMBL2281079 0.75 PIK3C2B (0.76) PIK3CGPIK3CD
SCHEMBL2300182 0.74 PIK3CD (0.60) PIK3CGPIK3CD

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-8877757-B2 Pyrazine derivatives and use as PI3K inhibitors MERCK SERONO SA (CH) 2014-11-04 US disclosed
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-22 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-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA PIK3CG 4/4885PIK3CD 2/4885ALDH1A1 2357/4885

“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.