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SCHEMBL11992016

SCHEMBL11992016

COc1ccc(-c2cnc(N)c(C(=O)c3cccnc3)n2)cc1S(=O)(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.55
▸ GSK3B P49841 7/20 0.54
▸ CCNE2 O96020 6/20 0.54
▸ CCNE1 P24864 6/20 0.54
▸ CDK2 P24941 6/20 0.54
▸ PIK3CD O00329 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CDK5 Q00535 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PIK3CA P42336 1/20 0.46
▸ PIK3CG P48736 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ BRD4 O60885 1/20 0.45

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
SCHEMBL3405311 0.89 PIK3CD (0.66) LMNAGSK3BCCNE2CCNE1CDK2
SCHEMBL3411866 0.86 GSK3B (0.54) GSK3BCCNE2CCNE1CDK2PIK3CD
SCHEMBL3405258 0.83 GSK3B (0.61) LMNAGSK3BCCNE2CCNE1CDK2
SCHEMBL11992027 0.82 GSK3B (0.61) LMNAGSK3BCCNE2CCNE1CDK2
SCHEMBL3410522 0.80 PIK3CD (0.66) GSK3BCCNE2CCNE1CDK2PIK3CD
SCHEMBL3405843 0.80 GSK3B (0.50) GSK3BCCNE2CCNE1CDK2PIK3CD
SCHEMBL3407079 0.78 GSK3B (0.56) GSK3BCCNE2CCNE1CDK2PIK3CD
SCHEMBL3408055 0.78 GSK3B (0.59) GSK3BCCNE2CCNE1CDK2PIK3CD
SCHEMBL11992019 0.77 ATR (0.67) GSK3BCCNE2CCNE1CDK2PIK3CD
SCHEMBL11992018 0.76 ATR (0.58) GSK3BCCNE2CCNE1CDK2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846687-B2 Pyrazine compounds as PI3 kinase inhibitors NOVARTIS AG (CH) 2014-09-30 — — US disclosed
US-8846687-B2 Pyrazine compounds as PI3 kinase inhibitors NOVARTIS AG (CH) 2014-09-30 — — US disclosed
EP-2597085-A1 Organic compounds Novartis AG (CH) 2013-05-29 — — EP disclosed
US-8268834-B2 Pyrazine derivatives that inhibit phosphatidylinositol 3-kinase enzyme NOVARTIS AG (CH) 2012-09-18 — — US disclosed
US-8268834-B2 Pyrazine derivatives that inhibit phosphatidylinositol 3-kinase enzyme NOVARTIS AG (CH) 2012-09-18 — — US disclosed
US-20120214800-A1 Organic Compounds NOVARTIS AG (CH) 2012-08-23 — — US disclosed
US-20120214800-A1 Organic Compounds NOVARTIS AG (CH) 2012-08-23 — — US disclosed
WO-2009115517-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-24 — — WO disclosed
US-20090239847-A1 Organic compounds NOVARTIS AG (CH) 2009-09-24 — — US disclosed
US-20090239847-A1 Organic compounds NOVARTIS AG (CH) 2009-09-24 — — 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 (2 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-20090239847-A1 Organic compounds AR, TRPA1, IL33 LMNA 3437/4885GSK3B 3129/4885CCNE2 2451/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 LMNA 3437/4885GSK3B 3129/4885CCNE2 2451/4885

“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.