SCHEMBL23966102

SCHEMBL23966102

COc1c(OCCC(=O)N2CCOCC2)ccc2c(=O)n(C)c(NC(=O)c3cnc(N)nc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 7/20 0.48
PIK3CA P42336 4/20 0.48
PIK3CD O00329 2/20 0.48
PIK3CG P48736 2/20 0.48
MTOR P42345 2/20 0.48
PIK3R1 P27986 2/20 0.48
CHRM2 P08172 1/20 0.48
RAB27A P51159 1/20 0.48
GAA P10253 2/20 0.40
LMNA P02545 3/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL24211056 0.92 PIK3CB (0.41) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL22183709 0.92 PIK3CB (0.46) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL22163831 0.91 PIK3CB (0.46) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL23966031 0.90 PIK3CB (0.55) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL23965974 0.89 PIK3CB (0.60) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL23965978 0.89 PIK3CB (0.44) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL23966138 0.86 PIK3CB (0.42) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL24211105 0.85 PIK3CB (0.43) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL23966049 0.85 PIK3CB (0.42) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL24211050 0.84 PIK3CB (0.40) PIK3CBPIK3CAPIK3CDPIK3CGMTOR

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-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

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 2/4885PIK3CD 4/4885

“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.