Sugi Predict

Sugi Predict / Compounds / SCHEMBL4366126

SCHEMBL4366126

SCHEMBL4366126

Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N)c(Nc2cccnc2)n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.55
▸ CCNE2 O96020 10/20 0.55
▸ CCNE1 P24864 10/20 0.55
▸ CDK2 P24941 10/20 0.55
▸ KMT2A Q03164 1/20 0.47
▸ GSK3A P49840 1/20 0.45
▸ POLB P06746 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ AXL P30530 1/20 0.42
▸ TYRO3 Q06418 1/20 0.42
▸ MERTK Q12866 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL3407079 0.81 GSK3B (0.56) GSK3BCCNE2CCNE1CDK2KMT2A
SCHEMBL3407270 0.79 SMN1; SMN2 (0.47) KMT2AMAPTKDM4EGAATSHR
SCHEMBL3408346 0.77 GSK3B (0.50) GSK3BCCNE2CCNE1CDK2KMT2A
SCHEMBL11992032 0.77 GSK3B (0.50) GSK3BCCNE2CCNE1CDK2KMT2A
SCHEMBL3407260 0.75 CCNE2 (0.49) GSK3BCCNE2CCNE1CDK2KMT2A
SCHEMBL14981232 0.74 APEX1 (0.43) GSK3BCCNE2CCNE1CDK2KMT2A
SCHEMBL3411396 0.74 PIK3CD (0.62) GSK3BCCNE2CCNE1CDK2KMT2A
SCHEMBL3411888 0.73 GAA (0.52) GSK3BCCNE2CCNE1CDK2KMT2A
SCHEMBL11992035 0.73 GSK3B (0.46) GSK3BCCNE2CCNE1CDK2KMT2A
SCHEMBL3406690 0.73 GSK3B (0.46) GSK3BCCNE2CCNE1CDK2KMT2A

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 11 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
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 GSK3B 3129/4885CCNE2 2451/4885CCNE1 2616/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 GSK3B 3129/4885CCNE2 2451/4885CCNE1 2616/4885

“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.