SCHEMBL20797948

SCHEMBL20797948

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.46
PIK3CD O00329 4/20 0.46
ATR Q13535 7/20 0.43
ATRIP Q8WXE1 3/20 0.43
PIK3C3 Q8NEB9 6/20 0.42
MTOR P42345 3/20 0.39
PDE4D Q08499 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PIK3R1 P27986 1/20 0.39

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
SCHEMBL20797828 0.89 ATR (0.45) PIK3CAPIK3CDATRATRIPPIK3C3
SCHEMBL20798021 0.88 PIK3CD (0.46) PIK3CAPIK3CDATRATRIPPIK3C3
SCHEMBL738268 0.88 PIK3CD (0.46) PIK3CAPIK3CDATRATRIPPIK3C3
SCHEMBL20797822 0.87 PIK3CA (0.45) PIK3CAPIK3CDATRATRIPPIK3C3
SCHEMBL30629327 0.85 HRH4 (0.51) PIK3CAPIK3CDATRATRIPPIK3C3
SCHEMBL20797856 0.85 HRH4 (0.51) PIK3CAPIK3CDATRATRIPPIK3C3
SCHEMBL20798050 0.83 ATR (0.44) PIK3CAPIK3CDATRATRIPPIK3C3
SCHEMBL20798055 0.82 PIK3CA (0.44) PIK3CAPIK3CDATRATRIPPIK3C3
SCHEMBL30629329 0.82 PIK3CA (0.44) PIK3CAPIK3CDATRATRIPPIK3C3
SCHEMBL20797809 0.81 ATR (0.49) PIK3CAPIK3CDATRATRIPPIK3C3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

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

“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.