SCHEMBL23965975

SCHEMBL23965975

COc1c(OCCC(=O)N2CCN(C)CC2)ccc2c(=O)n(C(C)C)c(NC(=O)c3cnc(N)nc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 8/20 0.40
PIK3CD O00329 3/20 0.40
PIK3CA P42336 3/20 0.40
PIK3CG P48736 3/20 0.40
CHRM2 P08172 1/20 0.40
PIK3R1 P27986 1/20 0.40
MTOR P42345 1/20 0.40
RAB27A P51159 1/20 0.40
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
PIK3C2A O00443 1/20 0.35
HDAC1 Q13547 3/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL24211133 0.90 PIK3CB (0.40) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL22183752 0.88 PIK3CB (0.39) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL22183756 0.86 PIK3CB (0.41) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL23965976 0.86 CYP1A2 (0.40) PIK3CBPIK3CDPIK3CAPIK3CGCYP1A2
SCHEMBL22183750 0.84 PIK3CB (0.45) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL23966102 0.84 PIK3CB (0.48) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL23965973 0.84 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL22183764 0.82 PIK3CB (0.39) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL22183763 0.82 PIK3CB (0.41) 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.