SCHEMBL1982916

SCHEMBL1982916

Cc1ccc(-c2nc3c(C)cccc3cc2Cn2nc(I)c3c(N)ncnc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.63
PIK3CD O00329 11/20 0.54
PIK3C2B O00750 4/20 0.51
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
FYN P06241 1/20 0.44

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
SCHEMBL680911 0.88 PIK3CG (0.81) PIK3CGPIK3CDPIK3C2B
SCHEMBL1598049 0.85 PIK3CG (0.70) PIK3CGPIK3CDPIK3C2B
SCHEMBL1598246 0.83 PIK3CD (0.68) PIK3CGPIK3CDPIK3C2B
SCHEMBL681687 0.81 PIK3CD (0.66) PIK3CGPIK3CDPIK3C2B
SCHEMBL681908 0.79 PIK3CD (0.76) PIK3CGPIK3CDPIK3C2B
SCHEMBL681818 0.77 PIK3CG (1.00) PIK3CGPIK3CDPIK3C2B
SCHEMBL1598366 0.77 PIK3CG (0.64) PIK3CGPIK3CDPIK3C2B
SCHEMBL1599331 0.76 PIK3CD (0.70) PIK3CGPIK3CDPIK3C2B
SCHEMBL1597951 0.74 PIK3CG (0.84) PIK3CGPIK3CDPIK3C2B
SCHEMBL12599287 0.73 PIK3CG (0.67) PIK3CGPIK3CDPIK3C2B

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-20110152277-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES CHEN YI 2011-06-23 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-20110152277-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CG 54/4885PIK3CD 16/4885PIK3C2B 60/4885

“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.