SCHEMBL20797809

SCHEMBL20797809

C[C@@H]1COCCN1c1cc(C(C)(C)C(N)=O)nc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATR Q13535 10/20 0.49
PIK3CD O00329 5/20 0.45
PIK3CA P42336 5/20 0.45
PIK3C3 Q8NEB9 2/20 0.41
ATRIP Q8WXE1 6/20 0.41
CHEK1 O14757 5/20 0.41
PDCD1 Q15116 5/20 0.41
CD274 Q9NZQ7 5/20 0.41
PDPK1 O15530 2/20 0.41
ROCK1 Q13464 2/20 0.41
AURKB Q96GD4 2/20 0.41
AURKA O14965 1/20 0.41
MTOR P42345 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
SCHEMBL20798179 0.87 ATR (0.44) ATRPIK3CDPIK3CAPIK3C3ATRIP
SCHEMBL20798050 0.84 ATR (0.44) ATRPIK3CDPIK3CAPIK3C3ATRIP
SCHEMBL20798021 0.84 PIK3CD (0.46) ATRPIK3CDPIK3CAPIK3C3ATRIP
SCHEMBL738268 0.84 PIK3CD (0.46) ATRPIK3CDPIK3CAPIK3C3ATRIP
SCHEMBL30629327 0.84 HRH4 (0.51) ATRPIK3CDPIK3CAPIK3C3ATRIP
SCHEMBL20797856 0.84 HRH4 (0.51) ATRPIK3CDPIK3CAPIK3C3ATRIP
SCHEMBL20797828 0.83 ATR (0.45) ATRPIK3CDPIK3CAPIK3C3ATRIP
SCHEMBL20798055 0.81 PIK3CA (0.44) ATRPIK3CDPIK3CAPIK3C3ATRIP
SCHEMBL30629329 0.81 PIK3CA (0.44) ATRPIK3CDPIK3CAPIK3C3ATRIP
SCHEMBL23848939 0.81 ATR (0.53) ATRPIK3CDPIK3CAATRIPCHEK1

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 7 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
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 1/4885PIK3CD 976/4885PIK3CA 702/4885
US-11236089-B2 Substituted pyrrolopyridines as ATR inhibitors ATR, RB1, ATRIP ATR 1/4885PIK3CD 976/4885PIK3CA 702/4885
US-20200207763-A1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS ATR, RB1, ATRIP ATR 1/4885PIK3CD 976/4885PIK3CA 702/4885

“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.