SCHEMBL23966009

SCHEMBL23966009

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.36
PIK3CA P42336 3/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
P4HTM Q9NXG6 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
PIK3CB P42338 4/20 0.34
PIK3C2A O00443 1/20 0.33
PDE4D Q08499 1/20 0.33
MAOB P27338 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TNF P01375 1/20 0.32
LITAF Q99732 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
SCHEMBL31679008 0.89 ABL1 (0.36) PIK3CAAURKARPS6KB1PIK3CBPIK3C2A
SCHEMBL22183701 0.88 HPGDS (0.34) MTORPIK3CAHDAC1HDAC6P4HTM
SCHEMBL22163834 0.86 PIK3CA (0.34) MTORPIK3CAHDAC1HDAC6AURKA
SCHEMBL22163856 0.85 CDK4 (0.36) MTORPIK3CAPIK3CBSMN1; SMN2TNF
SCHEMBL22183764 0.85 PIK3CB (0.39) MTORPIK3CAHDAC1P4HTMAURKA
SCHEMBL22163832 0.85 CSF1R (0.33) MTORPIK3CAHDAC1HDAC6P4HTM
SCHEMBL23966097 0.85 PIK3CB (0.39) MTORPIK3CAHDAC1P4HTMPIK3CB
SCHEMBL24211128 0.84 PIK3CB (0.38) MTORPIK3CAHDAC1PIK3CBPIK3C2A
SCHEMBL22183752 0.84 PIK3CB (0.39) MTORPIK3CAHDAC1HDAC6P4HTM
SCHEMBL22183756 0.84 PIK3CB (0.41) MTORPIK3CAHDAC1HDAC6PIK3CB

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
CN-109516961-B Aminoquinazolinone and aminoisoquinolinone derivatives and uses thereof 浙江大学 2021-01-01 CN 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 MTOR 14/4885PIK3CA 2/4885HDAC1 3070/4885

“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.