SCHEMBL30192398

SCHEMBL30192398

CCC(Oc1ccc(-c2ccc3ncc4c(C)nc(N5C[C@@H](C)O[C@@H](C)C5)n4c3c2)cc1C(F)(F)F)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ATR Q13535 1/20 0.36
▸ ATRIP Q8WXE1 1/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ GAK O14976 1/20 0.31
▸ ITGB2 P05107 1/20 0.30
▸ ICAM1 P05362 1/20 0.30
▸ ITGAL P20701 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ BRAF P15056 1/20 0.30

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
SCHEMBL31064048 0.85 ATM (0.37) PIK3CBMTORPRKDCATMATR
SCHEMBL29742730 0.85 CTSS (0.41) PIK3CBMTORPRKDCATMATR
SCHEMBL23119289 0.76 ATM (0.42) PIK3CBMTORPRKDCATMATR
SCHEMBL29688033 0.76 ATM (0.42) PIK3CBMTORPRKDCATMATR
SCHEMBL23119283 0.74 ATM (0.42) PIK3CBMTORPRKDCATMATR
SCHEMBL29688251 0.74 ATM (0.42) PIK3CBMTORPRKDCATMATR
SCHEMBL29687886 0.73 ATM (0.37) PIK3CBMTORPRKDCATMATR
SCHEMBL23119186 0.73 ATM (0.49) PIK3CBMTORPRKDCATMATR
SCHEMBL23119298 0.73 ATM (0.54) PIK3CBMTORPRKDCATMATR
SCHEMBL23119299 0.73 ATM (0.54) PIK3CBMTORPRKDCATMATR

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-20220354859-A1 SUBSTITUTED IMIDAZOQUINOXALINE COMPOUNDS AND USES THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-11-10 — — US claimed
US-20220354859-A1 SUBSTITUTED IMIDAZOQUINOXALINE COMPOUNDS AND USES THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-11-10 — — 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-20220354859-A1 SUBSTITUTED IMIDAZOQUINOXALINE COMPOUNDS AND USES THEREOF CHEK2, CHEK1, ATM PIK3CB 214/4885MTOR 377/4885PRKDC 26/4885

“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.

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