SCHEMBL30013129

SCHEMBL30013129

CN(C)CCCOc1ccc(-c2ccc3ncn4c(c(C5CCOCC5)c(=O)n4C)c3c2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 18/20 0.47
▸ PIK3CA P42336 16/20 0.47
▸ MTOR P42345 15/20 0.47
▸ ATR Q13535 3/20 0.47
▸ PRKDC P78527 2/20 0.47
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ KCNH2 Q12809 1/20 0.41
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40

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
SCHEMBL30012304 0.86 ATM (0.62) ATMPIK3CAMTORATRPRKDC
SCHEMBL30011901 0.83 ATM (0.44) ATMPIK3CAMTORATRPRKDC
SCHEMBL29217574 0.83 ATM (0.44) ATMPIK3CAMTORATRPRKDC
SCHEMBL30011050 0.80 MTOR (0.41) ATMPIK3CAMTORATRPIK3CD
SCHEMBL30839670 0.80 ATM (0.39) ATMPIK3CAMTORATRPRKDC
SCHEMBL30011064 0.79 ATM (0.65) ATMPIK3CAMTORATRPRKDC
SCHEMBL30012169 0.78 MTOR (0.41) ATMPIK3CAMTORATRPIK3CD
SCHEMBL30013029 0.77 ATM (0.59) ATMPIK3CAMTORATRPRKDC
SCHEMBL30012789 0.77 MTOR (0.40) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL22891687 0.73 IRAK4 (0.37) ATMPIK3CAMTORATRKCNH2

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-20220259211-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONE COMPOUNDS AND APPLICATION THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-08-18 — — US claimed
CN-114026097-B Substituted pyrazoloquinazolinone compounds and uses thereof 上海瑛派药业有限公司 2024-02-23 — — CN disclosed
US-20220259211-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONE COMPOUNDS AND APPLICATION THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-08-18 — — US 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-20220259211-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONE COMPOUNDS AND APPLICATION THEREOF CHEK1, CHEK2, ATM ATM 3/4885PIK3CA 381/4885MTOR 283/4885

“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.

Send feedback