SCHEMBL20068059

SCHEMBL20068059

CSc1nc(NC(C)c2cc3ccccc3nc2-c2ccccc2)c2c(=O)nc[nH]c2n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.56
PIK3CD O00329 12/20 0.37
PIK3CB P42338 3/20 0.35
PIK3CA P42336 2/20 0.35
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
MAPK14 Q16539 1/20 0.32
FYN P06241 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL20061574 0.88 PIK3CG (0.59) PIK3CGPIK3CDPIK3CBPIK3CAPDE10A
SCHEMBL20061573 0.87 PIK3CG (0.58) PIK3CGPIK3CDPIK3CBPIK3CA
SCHEMBL20068058 0.87 PIK3CG (0.58) PIK3CGPIK3CDPIK3CBPIK3CA
SCHEMBL20068049 0.85 PIK3CG (0.68) PIK3CGPIK3CDPIK3CBPIK3CA
SCHEMBL20061547 0.85 PIK3CG (0.68) PIK3CGPIK3CDPIK3CBPIK3CA
SCHEMBL680984 0.75 PIK3CG (0.73) PIK3CGPIK3CDPIK3CBPIK3CALMNA
SCHEMBL22227561 0.72 PIK3CG (0.53) PIK3CGPIK3CD
SCHEMBL22237940 0.72 PIK3CG (0.62) PIK3CGPIK3CDPIK3CBPIK3CA
SCHEMBL20068062 0.72 PIK3CG (0.62) PIK3CGPIK3CDPIK3CBPIK3CA
SCHEMBL20061394 0.72 PIK3CG (0.62) PIK3CGPIK3CDPIK3CBPIK3CA

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 19/4885PIK3CD 14/4885PIK3CB 23/4885

“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.