SCHEMBL20061398

SCHEMBL20061398

CCC(=O)c1c(NCc2ccc(OC)cc2)ncnc1NC(C)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.54
PIK3CG P48736 15/20 0.54
PIK3R1 P27986 8/20 0.54
PIK3CB P42338 3/20 0.54
ABCB11 O95342 1/20 0.54
TBXA2R P21731 1/20 0.54
HTR2A P28223 1/20 0.54
PIK3CA P42336 1/20 0.54
PDE3A Q14432 1/20 0.54
PIK3R2 O00459 3/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL20081356 1.00 PIK3CD (0.54) PIK3CDPIK3CGPIK3R1PIK3CBABCB11
SCHEMBL20061376 0.93 PIK3CD (0.55) PIK3CDPIK3CGPIK3R1PIK3CBABCB11
SCHEMBL28572749 0.93 PIK3CD (0.55) PIK3CDPIK3CGPIK3R1PIK3CBABCB11
SCHEMBL16629052 0.86 PIK3CD (0.62) PIK3CDPIK3CGPIK3R1PIK3R2
SCHEMBL20081400 0.83 PIK3CD (0.46) PIK3CDPIK3CGPIK3R1PIK3CBABCB11
SCHEMBL28578153 0.83 PIK3CD (0.46) PIK3CDPIK3CGPIK3R1PIK3CBABCB11
SCHEMBL20061388 0.81 PIK3CD (0.44) PIK3CDPIK3CGPIK3R1PIK3CBABCB11
SCHEMBL14649505 0.80 PIK3CD (0.49) PIK3CDPIK3CGPIK3R1PIK3CBABCB11
SCHEMBL20061454 0.80 PIK3CD (0.53) PIK3CDPIK3CGPIK3R1PIK3CBABCB11
SCHEMBL16629056 0.79 PIK3CG (0.69) PIK3CDPIK3CGPIK3R1PIK3R2

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
CN-107690433-B Heteroaryl derivative or pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition for preventing or treating PI3 kinase-associated diseases comprising the same as active ingredient 韩国化学研究院 2021-04-09 CN disclosed
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 14/4885PIK3CG 19/4885PIK3R1 9/4885

“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.