SCHEMBL9979381

SCHEMBL9979381

C[C@@H]1COCCN1c1cc(C2([S@@](C)(=N)=O)CC2)nc(-c2cccc3[nH]ccc23)n1

nearest known ligand 0.87

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.87
ATRIP Q8WXE1 6/20 0.87
MTOR P42345 5/20 0.87
TAF1 P21675 3/20 0.87
PIK3CA P42336 3/20 0.87
PRKDC P78527 2/20 0.87
KCNH2 Q12809 2/20 0.87
PIK3R1 P27986 1/20 0.87
ATM Q13315 1/20 0.87
CHEK1 O14757 1/20 0.69
PDCD1 Q15116 1/20 0.69
CD274 Q9NZQ7 1/20 0.69

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
SCHEMBL9979100 1.00 ATR (0.87) ATRATRIPMTORTAF1PIK3CA
SCHEMBL9979102 1.00 ATR (0.87) ATRATRIPMTORTAF1PIK3CA
SCHEMBL31165828 1.00 ATR (0.87) ATRATRIPMTORTAF1PIK3CA
SCHEMBL31165830 1.00 ATR (0.87) ATRATRIPMTORTAF1PIK3CA
SCHEMBL9978987 0.97 ATR (0.82) ATRATRIPMTORTAF1PIK3CA
SCHEMBL31165856 0.97 ATR (0.82) ATRATRIPMTORTAF1PIK3CA
SCHEMBL9978988 0.97 ATR (0.82) ATRATRIPMTORTAF1PIK3CA
SCHEMBL23389998 0.93 ATR (1.00) ATRATRIPMTORTAF1PIK3CA
SCHEMBL2511931 0.93 ATR (1.00) ATRATRIPMTORTAF1PIK3CA
SCHEMBL2514010 0.93 ATR (1.00) ATRATRIPMTORTAF1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2579877-B1 MORPHOLINO PYRIMIDINES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2014-08-13 EP claimed
US-20140018364-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2014-01-16 US claimed
US-8552004-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-10-08 US claimed
EP-2579877-A1 MORPHOLINO PYRIMIDINES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2013-04-17 EP claimed
US-20130005725-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2013-01-03 US claimed
WO-2011154737-A1 MORPHOLINO PYRIMIDINES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-12-15 WO claimed
US-20110306613-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-12-15 US claimed
US-20250064967-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND ATR INHIBITOR ASTRAZENECA UK LIMITED (GB) 2025-02-27 US disclosed
US-20230330243-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND ATR INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-10-19 US disclosed
WO-2023126823-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND ATR INHIBITOR ASTRAZENECA UK LIMITED (GB) 2023-07-06 WO disclosed
EP-4171650-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND ATR INHIBITOR AstraZeneca UK Limited (GB) 2023-05-03 EP disclosed
WO-2021260579-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND ATR INHIBITOR ASTRAZENECA UK LIMITED (GB) 2021-12-30 WO disclosed
US-9421213-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-08-23 US disclosed
US-8252802-B2 Chemical compounds ASTRAZENECA AB (SE) 2012-08-28 US disclosed
US-8252802-B2 Chemical compounds ASTRAZENECA AB (SE) 2012-08-28 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
US-20110306613-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-12-15 US 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 (5 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-20110306613-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 ATR 2609/4885ATRIP 4540/4885MTOR 732/4885
US-20230330243-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND ATR INHIBITOR ATR, ERBB2, ATRIP ATR 1/4885ATRIP 3/4885MTOR 931/4885
US-20250064967-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND ATR INHIBITOR ATR, TTI2, TERF2IP ATR 1/4885ATRIP 6/4885MTOR 3041/4885
US-20130005725-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 ATR 2609/4885ATRIP 4540/4885MTOR 732/4885
US-20140018364-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 ATR 2609/4885ATRIP 4540/4885MTOR 732/4885

“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.