SCHEMBL9979309

SCHEMBL9979309

C[C@@H]1COCCN1c1cc(C2([S@@](C)(=N)=O)CC2)nc(Cl)n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.61
MTOR P42345 5/20 0.61
ATRIP Q8WXE1 4/20 0.61
TAF1 P21675 3/20 0.61
PRKDC P78527 2/20 0.61
KCNH2 Q12809 4/20 0.60
PIK3CA P42336 3/20 0.52
PIK3R1 P27986 1/20 0.52
ATM Q13315 1/20 0.52

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
SCHEMBL9978970 1.00 ATR (0.61) ATRMTORATRIPTAF1PRKDC
SCHEMBL9978969 1.00 ATR (0.61) ATRMTORATRIPTAF1PRKDC
SCHEMBL9978917 1.00 ATR (0.61) ATRMTORATRIPTAF1PRKDC
Hydrochloric Acid SCHEMBL22124645 0.99 ATR (0.60) ATRMTORATRIPTAF1PRKDC
SCHEMBL2490425 0.92 ATR (0.64) ATRMTORATRIPTAF1PRKDC
SCHEMBL2491932 0.92 ATR (0.64) ATRMTORATRIPTAF1PRKDC
SCHEMBL2489779 0.92 ATR (0.64) ATRMTORATRIPTAF1PRKDC
Hydrochloric Acid SCHEMBL31063727 0.91 ATR (0.63) ATRMTORATRIPTAF1PRKDC
SCHEMBL2488410 0.88 ATR (0.59) ATRMTORATRIPTAF1PRKDC
SCHEMBL2487291 0.88 ATR (0.59) ATRMTORATRIPTAF1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9155742-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-10-13 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 (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-20150164908-A1 Chemical Compounds CYP2C19, ABCG2, CYP2C9 ATR 2609/4885MTOR 732/4885ATRIP 4540/4885
US-20110306613-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 ATR 2609/4885MTOR 732/4885ATRIP 4540/4885
US-20160074412-A1 Chemical Compounds CYP2C19, ABCG2, CYP2C9 ATR 2609/4885MTOR 732/4885ATRIP 4540/4885
US-20130005725-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 ATR 2609/4885MTOR 732/4885ATRIP 4540/4885
US-20140018364-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 ATR 2609/4885MTOR 732/4885ATRIP 4540/4885

“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.