Sugi Predict

Sugi Predict / Compounds / SCHEMBL9979218

SCHEMBL9979218

SCHEMBL9979218

CSCc1cc(N2CCOC[C@H]2C)nc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 7/20 0.46
▸ ATRIP Q8WXE1 6/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ PIK3CA P42336 5/20 0.41
▸ PIK3CD O00329 2/20 0.41
▸ CHEK1 O14757 3/20 0.40
▸ PDCD1 Q15116 3/20 0.40
▸ CD274 Q9NZQ7 3/20 0.40
▸ MTOR P42345 4/20 0.40
▸ PIK3C3 Q8NEB9 2/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ PDE4D Q08499 1/20 0.38

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
SCHEMBL9979222 1.00 ATR (0.46) ATRATRIPALDH1A1KDM4EGAA
SCHEMBL3601083 0.87 ATR (0.43) ATRATRIPPIK3CAPIK3CDCHEK1
SCHEMBL3931913 0.86 ATR (0.46) ATRATRIPPIK3CAPIK3CDCHEK1
SCHEMBL9978858 0.86 ATR (0.46) ATRATRIPPIK3CAPIK3CDCHEK1
SCHEMBL9978856 0.86 ATR (0.46) ATRATRIPPIK3CAPIK3CDCHEK1
SCHEMBL4201580 0.85 ATR (0.42) ATRATRIPPIK3CAPIK3CDCHEK1
SCHEMBL3594631 0.85 ATR (0.42) ATRATRIPPIK3CAPIK3CDCHEK1
SCHEMBL13283659 0.85 ATR (0.42) ATRATRIPPIK3CAPIK3CDCHEK1
SCHEMBL4200583 0.85 ATR (0.42) ATRATRIPPIK3CAPIK3CDCHEK1
SCHEMBL9979390 0.85 PIK3CA (0.47) ATRATRIPPIK3CAPIK3CDCHEK1

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 21 patents — showing the first 20. 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-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
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
US-9421213-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-08-23 — — US disclosed
US-20160074412-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-03-17 — — 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 (9 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-20150164908-A1 Chemical Compounds CYP2C19, ABCG2, CYP2C9 ATR 2609/4885ATRIP 4540/4885ALDH1A1 130/4885
US-20220227755-A1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS ATR, RB1, ATRIP ATR 1/4885ATRIP 3/4885ALDH1A1 2178/4885
US-20220056027-A1 PHARMACEUTICAL PROCESS AND INTERMEDIATES CYP3A7, UGT2B7, CDK7 ATR 1512/4885ATRIP 2712/4885ALDH1A1 1886/4885
US-20110306613-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 ATR 2609/4885ATRIP 4540/4885ALDH1A1 130/4885
US-20160074412-A1 Chemical Compounds CYP2C19, ABCG2, CYP2C9 ATR 2609/4885ATRIP 4540/4885ALDH1A1 130/4885
US-20130005725-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 ATR 2609/4885ATRIP 4540/4885ALDH1A1 130/4885
US-11236089-B2 Substituted pyrrolopyridines as ATR inhibitors ATR, RB1, ATRIP ATR 1/4885ATRIP 3/4885ALDH1A1 2178/4885
US-20200207763-A1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS ATR, RB1, ATRIP ATR 1/4885ATRIP 3/4885ALDH1A1 2178/4885
US-20140018364-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 ATR 2609/4885ATRIP 4540/4885ALDH1A1 130/4885

“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.