SCHEMBL20068031

SCHEMBL20068031

CC(N[S@+]([O-])C(C)(C)C)c1cc2ccccc2nc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.47
PDE10A Q9Y233 1/20 0.44
PIK3CD O00329 2/20 0.37
AKT1 P31749 2/20 0.36
AKT2 P31751 1/20 0.36
KDM4E B2RXH2 5/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
PSMB5 P28074 1/20 0.33
GAA P10253 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL28561171 1.00 PIK3CG (0.47) PIK3CGPDE10APIK3CDAKT1AKT2
SCHEMBL20061319 1.00 PIK3CG (0.47) PIK3CGPDE10APIK3CDAKT1AKT2
SCHEMBL20081337 1.00 PIK3CG (0.47) PIK3CGPDE10APIK3CDAKT1AKT2
SCHEMBL15302654 0.83 PIK3CG (0.37) PIK3CGPIK3CD
SCHEMBL10080210 0.83 PIK3CG (0.37) PIK3CGPIK3CD
SCHEMBL9953062 0.83 PIK3CG (0.37) PIK3CGPIK3CD
SCHEMBL22158969 0.82 EGFR (0.40) PIK3CGPIK3CDKDM4ELMNASMN1; SMN2
SCHEMBL22158971 0.82 EGFR (0.40) PIK3CGPIK3CDKDM4ELMNASMN1; SMN2
SCHEMBL22158972 0.82 EGFR (0.40) PIK3CGPIK3CDKDM4ELMNASMN1; SMN2
SCHEMBL20061321 0.79 PIK3CD (0.52) PIK3CGPIK3CDALDH1A1

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-20180105527-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-19 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-20180105527-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT WEE2, WEE1, ITK PIK3CG 19/4885PDE10A 2875/4885PIK3CD 14/4885

“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.