SCHEMBL20067796

SCHEMBL20067796

COc1ccc(Cn2ccc(=O)c3c(NC(C)c4nc5cccc(Cl)c5c(=O)n4-c4ccccc4)ncnc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.61
PIK3R1 P27986 12/20 0.61
PIK3CG P48736 9/20 0.56
PIK3CB P42338 5/20 0.56
PIK3CA P42336 4/20 0.56

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
SCHEMBL20081195 0.92 PIK3CB (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL20067803 0.92 PIK3CD (0.55) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL20067800 0.91 PIK3CD (0.50) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL20067814 0.88 PIK3CD (0.59) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL22227568 0.88 PIK3CD (0.48) PIK3CDPIK3R1PIK3CG
SCHEMBL20068041 0.88 PIK3CD (0.48) PIK3CDPIK3R1PIK3CG
SCHEMBL20081188 0.88 PIK3CD (0.55) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL22227588 0.88 PIK3CD (0.55) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL29486515 0.88 PIK3CD (0.55) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL20067862 0.87 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA

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 PIK3CD 14/4885PIK3R1 9/4885PIK3CG 19/4885

“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.