SCHEMBL22607174

SCHEMBL22607174

COc1cc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cnc1N

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.74
MTOR P42345 4/20 0.74
PIK3CD O00329 1/20 0.74
PIK3C2A O00443 1/20 0.74
PIK3C2B O00750 1/20 0.74
PIK3R1 P27986 1/20 0.74
PIK3CB P42338 1/20 0.74
PIK3CG P48736 1/20 0.74
PRKDC P78527 1/20 0.74
ATM Q13315 1/20 0.74
ATR Q13535 1/20 0.74
RPTOR Q8N122 1/20 0.74
PIK3C3 Q8NEB9 1/20 0.74
MLST8 Q9BVC4 1/20 0.74
MKNK2 Q9HBH9 1/20 0.74
PI4KB Q9UBF8 1/20 0.74
BLK P51451 1/20 0.51
BMX P51813 1/20 0.51
JAK3 P52333 1/20 0.51
BTK Q06187 1/20 0.51

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
SCHEMBL22607248 0.87 PIK3CA (0.74) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL7919240 0.86 PIK3CA (0.76) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL16719231 0.86 PIK3CA (0.73) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL16730901 0.86 PIK3CA (0.84) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL30214466 0.85 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL29352777 0.85 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL6876328 0.85 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL16719230 0.85 PIK3CA (0.82) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL18045499 0.85 PIK3CA (0.82) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL16730996 0.84 PIK3CA (0.81) PIK3CAMTORPIK3CDPIK3C2APIK3C2B

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
US-20220220106-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2022-07-14 US disclosed
WO-2020216350-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 中国人民解放军军事科学院军事医学研究院 2020-10-29 WO 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-20220220106-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF MTOR, RICTOR, EIF4E PIK3CA 58/4885MTOR 1/4885PIK3CD 64/4885

“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.