SCHEMBL22183752

SCHEMBL22183752

COc1c(OCCC(N)=O)ccc2c(=O)n(C(C)C)c(NC(=O)c3cnc(N)nc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 8/20 0.39
PIK3CA P42336 5/20 0.39
MTOR P42345 4/20 0.39
PIK3CD O00329 3/20 0.39
PIK3CG P48736 3/20 0.39
CHRM2 P08172 1/20 0.39
PIK3R1 P27986 1/20 0.39
RAB27A P51159 1/20 0.39
PIK3C2A O00443 1/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
QPCT Q16769 1/20 0.33
P4HTM Q9NXG6 1/20 0.32

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
SCHEMBL22183756 0.97 PIK3CB (0.41) PIK3CBPIK3CAMTORPIK3CDPIK3CG
SCHEMBL22183764 0.91 PIK3CB (0.39) PIK3CBPIK3CAMTORPIK3CDPIK3CG
SCHEMBL23966138 0.90 PIK3CB (0.42) PIK3CBPIK3CAMTORPIK3CDPIK3CG
SCHEMBL24211122 0.89 PIK3CB (0.38) PIK3CBPIK3CAMTORPIK3CDPIK3CG
SCHEMBL23965967 0.88 PIK3CB (0.39) PIK3CBPIK3CAMTORPIK3CDPIK3CG
SCHEMBL23965975 0.88 PIK3CB (0.40) PIK3CBPIK3CAMTORPIK3CDPIK3CG
SCHEMBL23966097 0.87 PIK3CB (0.39) PIK3CBPIK3CAMTORPIK3CDPIK3CG
SCHEMBL24211128 0.86 PIK3CB (0.38) PIK3CBPIK3CAMTORPIK3CDPIK3CG
SCHEMBL24211105 0.86 PIK3CB (0.43) PIK3CBPIK3CAMTORPIK3CDPIK3CG
SCHEMBL22183755 0.86 PIK3CA (0.40) PIK3CBPIK3CAMTORPIK3CDPIK3CG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017505-A1 AMINOQUINAZOLINONE AND AMINOISOQUINOLINONE DERIVATIVES AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-01-20 US disclosed
EP-3904343-A1 AMINO QUINAZOLINONE, AMINO ISOQUINOLONE DERIVATIVES AND APPLICATION THEREOF Zhejiang University (CN) 2021-11-03 EP disclosed
WO-2020134921-A1 AMINO QUINAZOLINONE, AMINO ISOQUINOLONE DERIVATIVES AND APPLICATION THEREOF 浙江大学 2020-07-02 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-20220017505-A1 AMINOQUINAZOLINONE AND AMINOISOQUINOLINONE DERIVATIVES AND APPLICATION THEREOF PIK3R5, PIK3CA, PIK3R1 PIK3CB 9/4885PIK3CA 2/4885MTOR 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.