SCHEMBL20798255

SCHEMBL20798255

COc1cc(N2CCOC[C@H]2C)nc(-c2cccc3[nH]ccc23)n1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.73
ATRIP Q8WXE1 8/20 0.68
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
SCHEMBL30629304 1.00 ATR (0.73) ATRATRIPCHEK1PDCD1CD274
SCHEMBL7907534 0.87 ATR (0.80) ATRATRIPCHEK1PDCD1CD274
SCHEMBL21263177 0.86 ATR (0.75) ATRATRIPCHEK1PDCD1CD274
SCHEMBL21263052 0.86 ATR (0.75) ATRATRIPCHEK1PDCD1CD274
SCHEMBL21263200 0.84 ATR (1.00) ATRATRIPCHEK1PDCD1CD274
SCHEMBL21263192 0.84 ATR (1.00) ATRATRIPCHEK1PDCD1CD274
SCHEMBL20798126 0.83 ATR (0.78) ATRATRIPCHEK1PDCD1CD274
SCHEMBL30629308 0.83 ATR (0.78) ATRATRIPCHEK1PDCD1CD274
SCHEMBL20798122 0.83 ATR (0.78) ATRATRIPCHEK1PDCD1CD274
SCHEMBL15943625 0.83 ATR (0.72) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111655688-B Substituted pyrrolopyridines as ATR inhibitors 蓝谷制药有限责任公司 2023-09-29 CN disclosed
US-20220227755-A1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS GREENGENE BIOSCIENCES INC. 2022-07-21 US disclosed
EP-3679041-B1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS NEWAVE PHARMACEUTICAL INC (US) 2022-07-06 EP disclosed
US-11236089-B2 Substituted pyrrolopyridines as ATR inhibitors BLUEVALLEY PHARMACEUTICAL LLC (US) 2022-02-01 US disclosed
CN-111655688-A Substituted pyrrolopyridines as ATR inhibitors 蓝谷制药有限责任公司 2020-09-11 CN disclosed
EP-3679041-A1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS BLUEVALLEY PHARMACEUTICAL LLC (US) 2020-07-15 EP disclosed
US-20200207763-A1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS GREENGENE BIOSCIENCES INC. 2020-07-02 US disclosed
WO-2019050889-A1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS BLUEVALLEY PHARMACEUTICAL LLC (US) 2019-03-14 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 (3 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-20220227755-A1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS ATR, RB1, ATRIP ATR 1/4885ATRIP 3/4885CHEK1 5/4885
US-11236089-B2 Substituted pyrrolopyridines as ATR inhibitors ATR, RB1, ATRIP ATR 1/4885ATRIP 3/4885CHEK1 5/4885
US-20200207763-A1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS ATR, RB1, ATRIP ATR 1/4885ATRIP 3/4885CHEK1 5/4885

“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.