SCHEMBL9979426

SCHEMBL9979426

C[C@@H]1COCCN1c1cc(CS(C)(=N)=O)nc(Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.55
PIK3CD O00329 4/20 0.55
MTOR P42345 4/20 0.50
PDCD1 Q15116 12/20 0.46
CD274 Q9NZQ7 12/20 0.46
CHEK1 O14757 11/20 0.46
ATR Q13535 11/20 0.46
ATRIP Q8WXE1 11/20 0.46

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
SCHEMBL2487507 0.91 PIK3CA (0.62) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL738140 0.91 PIK3CA (0.62) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL2487510 0.91 PIK3CA (0.62) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL2493212 0.87 PIK3CA (0.51) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL2493217 0.87 PIK3CA (0.51) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL3596412 0.87 PIK3CA (0.51) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL20798042 0.87 PIK3CA (0.51) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL29026042 0.86 PIK3CA (0.50) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL29026044 0.86 PIK3CA (0.50) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL3588755 0.85 PIK3CA (0.49) PIK3CAPIK3CDMTORPDCD1CD274

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 PIK3CA 1056/4885PIK3CD 2216/4885MTOR 732/4885
US-20110306613-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 PIK3CA 1056/4885PIK3CD 2216/4885MTOR 732/4885
US-20160074412-A1 Chemical Compounds CYP2C19, ABCG2, CYP2C9 PIK3CA 1056/4885PIK3CD 2216/4885MTOR 732/4885
US-20130005725-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 PIK3CA 1056/4885PIK3CD 2216/4885MTOR 732/4885
US-20140018364-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 PIK3CA 1056/4885PIK3CD 2216/4885MTOR 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.