Sugi Predict

Sugi Predict / Compounds / SCHEMBL9979386

SCHEMBL9979386

SCHEMBL9979386

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 10/20 0.47
▸ MTOR P42345 9/20 0.47
▸ PIK3R1 P27986 1/20 0.47
▸ PIK3CD O00329 4/20 0.45
▸ ATR Q13535 5/20 0.45
▸ CHEK1 O14757 3/20 0.41
▸ PDCD1 Q15116 3/20 0.41
▸ ATRIP Q8WXE1 3/20 0.41
▸ CD274 Q9NZQ7 3/20 0.41
▸ PDE4D Q08499 1/20 0.40
▸ PIK3C3 Q8NEB9 2/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 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
SCHEMBL9979390 1.00 PIK3CA (0.47) PIK3CAMTORPIK3R1PIK3CDATR
SCHEMBL738609 1.00 PIK3CA (0.47) PIK3CAMTORPIK3R1PIK3CDATR
SCHEMBL3931913 0.88 ATR (0.46) PIK3CAMTORPIK3R1PIK3CDATR
SCHEMBL9978856 0.88 ATR (0.46) PIK3CAMTORPIK3R1PIK3CDATR
SCHEMBL9978858 0.88 ATR (0.46) PIK3CAMTORPIK3R1PIK3CDATR
SCHEMBL2489911 0.87 ATR (0.45) PIK3CAMTORPIK3R1PIK3CDATR
SCHEMBL737939 0.87 ATR (0.45) PIK3CAMTORPIK3R1PIK3CDATR
SCHEMBL2489912 0.87 ATR (0.45) PIK3CAMTORPIK3R1PIK3CDATR
SCHEMBL27791400 0.85 PIK3CA (0.45) PIK3CAMTORPIK3R1PIK3CDATR
SCHEMBL9979222 0.85 ATR (0.46) PIK3CAMTORPIK3R1PIK3CDATR

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116134022-B ATR inhibitors and uses thereof 上海德琪医药科技有限公司 2025-03-18 — — CN disclosed
US-20230339927-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-10-26 — — US disclosed
US-20230339927-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-10-26 — — US disclosed
CN-111655688-B Substituted pyrrolopyridines as ATR inhibitors 蓝谷制药有限责任公司 2023-09-29 — — CN disclosed
CN-116134022-A ATR inhibitors and uses thereof 上海德琪医药科技有限公司 2023-05-16 — — CN disclosed
EP-4175948-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-05-10 — — EP 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-20220056027-A1 PHARMACEUTICAL PROCESS AND INTERMEDIATES ASTRAZENECA AB (SE) 2022-02-24 — — US disclosed
US-11236089-B2 Substituted pyrrolopyridines as ATR inhibitors BLUEVALLEY PHARMACEUTICAL LLC (US) 2022-02-01 — — US disclosed
US-20150164908-A1 Chemical Compounds ASTRAZENECA AB (SE) 2015-06-18 — — US disclosed
US-8999997-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-07 — — US disclosed
EP-2579877-B1 MORPHOLINO PYRIMIDINES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2014-08-13 — — EP disclosed
US-20140018364-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2014-01-16 — — US disclosed
US-8552004-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-10-08 — — US disclosed
EP-2579877-A1 MORPHOLINO PYRIMIDINES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2013-04-17 — — EP disclosed
US-20130005725-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2013-01-03 — — US disclosed
US-8252802-B2 Chemical compounds ASTRAZENECA AB (SE) 2012-08-28 — — US disclosed
WO-2011154737-A1 MORPHOLINO PYRIMIDINES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-12-15 — — WO disclosed
US-20110306613-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-12-15 — — 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 (8 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-20230339927-A1 ATR INHIBITORS AND USES THEREOF ATR, CHEK1, CHEK2 PIK3CA 317/4885MTOR 943/4885PIK3R1 139/4885
US-20150164908-A1 Chemical Compounds CYP2C19, ABCG2, CYP2C9 PIK3CA 1056/4885MTOR 732/4885PIK3R1 3350/4885
US-20220227755-A1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS ATR, RB1, ATRIP PIK3CA 702/4885MTOR 2109/4885PIK3R1 401/4885
US-20220056027-A1 PHARMACEUTICAL PROCESS AND INTERMEDIATES CYP3A7, UGT2B7, CDK7 PIK3CA 218/4885MTOR 85/4885PIK3R1 673/4885
US-20110306613-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 PIK3CA 1056/4885MTOR 732/4885PIK3R1 3350/4885
US-20130005725-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 PIK3CA 1056/4885MTOR 732/4885PIK3R1 3350/4885
US-11236089-B2 Substituted pyrrolopyridines as ATR inhibitors ATR, RB1, ATRIP PIK3CA 702/4885MTOR 2109/4885PIK3R1 401/4885
US-20140018364-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 PIK3CA 1056/4885MTOR 732/4885PIK3R1 3350/4885

“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.