SCHEMBL21263192

SCHEMBL21263192

Cc1nnc(C)n1-c1cc(N2CCOC[C@H]2C)nc(-c2cccc3[nH]ccc23)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 1.00
ATRIP Q8WXE1 8/20 0.70
CHEK1 O14757 1/20 0.68
PDCD1 Q15116 1/20 0.68
CD274 Q9NZQ7 1/20 0.68
TAF1 P21675 1/20 0.65
PIK3R1 P27986 1/20 0.65
PIK3CA P42336 1/20 0.65
MTOR P42345 1/20 0.65
PRKDC P78527 1/20 0.65
KCNH2 Q12809 1/20 0.65
ATM Q13315 1/20 0.65

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
SCHEMBL21263200 1.00 ATR (1.00) ATRATRIPCHEK1PDCD1CD274
SCHEMBL7907534 0.89 ATR (0.80) ATRATRIPCHEK1PDCD1CD274
SCHEMBL21263105 0.88 ATR (1.00) ATRPDCD1CD274PIK3CAMTOR
SCHEMBL21263108 0.88 ATR (1.00) ATRPDCD1CD274PIK3CAMTOR
SCHEMBL21263161 0.87 ATR (0.79) ATRATRIPCHEK1PDCD1CD274
SCHEMBL21263098 0.87 ATR (0.79) ATRATRIPCHEK1PDCD1CD274
SCHEMBL21263091 0.87 ATR (1.00) ATRATRIPCHEK1PDCD1CD274
SCHEMBL22810783 0.87 ATR (1.00) ATRATRIPCHEK1PDCD1CD274
SCHEMBL21263177 0.86 ATR (0.75) ATRATRIPCHEK1PDCD1CD274
SCHEMBL21263052 0.86 ATR (0.75) ATRATRIPCHEK1PDCD1CD274

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-20200399260-A1 ATR INHIBITOR AND APPLICATION THEREOF Wuxi Biocity Biopharmaceutics Co., Ltd. (CN) 2020-12-24 US disclosed
EP-3753937-A1 ATR INHIBITOR AND APPLICATION THEREOF SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT COMPANY, LTD. (CN) 2020-12-23 EP disclosed
WO-2019154365-A1 ATR INHIBITOR AND APPLICATION THEREOF 南京明德新药研发有限公司 2019-08-15 WO 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-20200399260-A1 ATR INHIBITOR AND APPLICATION THEREOF ATR, ATRIP, CHEK1 ATR 1/4885ATRIP 2/4885CHEK1 3/4885

“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.