SCHEMBL23965974

SCHEMBL23965974

COc1c(OCCCN2CCOCC2)ccc2c(=O)n(C)c(NC(=O)c3cnc(N)nc3)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 4/20 0.60
PIK3CD O00329 2/20 0.60
PIK3CA P42336 2/20 0.60
PIK3CG P48736 2/20 0.60
CHRM2 P08172 1/20 0.60
PIK3R1 P27986 1/20 0.60
MTOR P42345 1/20 0.60
RAB27A P51159 1/20 0.60
HDAC1 Q13547 2/20 0.44
AURKA O14965 10/20 0.44
AURKB Q96GD4 3/20 0.44
EGFR P00533 4/20 0.44
KDR P35968 4/20 0.44
ROCK2 O75116 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
RET P07949 1/20 0.44
MET P08581 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL23966031 0.96 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL23965998 0.93 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL22163875 0.92 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL24211144 0.92 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL23965924 0.92 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL22183656 0.92 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL23965973 0.92 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL23966084 0.92 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL17727590 0.91 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL24211103 0.90 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2

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 9/4885PIK3CD 4/4885PIK3CA 2/4885

“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.