SCHEMBL3404367

SCHEMBL3404367

Nc1ncc(-c2cccc(N3CCOCC3)c2)nc1C(=O)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 7/20 0.64
PRKCA P17252 2/20 0.59
PRKCQ Q04759 2/20 0.59
PLOD2 O00469 1/20 0.54
PLOD3 O60568 1/20 0.54
PLOD1 Q02809 1/20 0.54
PRKCI P41743 1/20 0.53
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
PIK3CD O00329 1/20 0.49
CCNE2 O96020 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
GSK3B P49841 1/20 0.47
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK10 P53779 1/20 0.46
DHFR P00374 1/20 0.45
PIK3CA P42336 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
SCHEMBL11992019 0.88 ATR (0.67) ATRCDK5CDK5R1PIK3CDCCNE2
SCHEMBL3405258 0.84 GSK3B (0.61) ATRCDK5CDK5R1PIK3CDCCNE2
SCHEMBL11992018 0.83 ATR (0.58) ATRCDK5CDK5R1PIK3CDCCNE2
SCHEMBL3407317 0.83 CDK5 (0.63) ATRCDK5CDK5R1PIK3CD
SCHEMBL4374572 0.81 CDK5 (0.54) ATRPRKCICDK5CDK5R1PIK3CD
SCHEMBL3402771 0.81 CDK5 (0.66) ATRCDK5CDK5R1PIK3CD
SCHEMBL3408468 0.80 CDK5 (0.62) ATRCDK5CDK5R1PIK3CD
SCHEMBL3408326 0.79 ATR (0.58) ATRCDK5CDK5R1PIK3CDCCNE2
SCHEMBL3405958 0.79 CDK5 (0.61) ATRCDK5CDK5R1PIK3CD
SCHEMBL3405311 0.79 PIK3CD (0.66) CDK5CDK5R1PIK3CDCCNE2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268834-B2 Pyrazine derivatives that inhibit phosphatidylinositol 3-kinase enzyme NOVARTIS AG (CH) 2012-09-18 US claimed
EP-2257529-A2 PYRIDINES AND PYRAZINES AS INHIBITORS OF PI3K Novartis AG (CH) 2010-12-08 EP claimed
WO-2009115517-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-24 WO claimed
US-20090239847-A1 Organic compounds NOVARTIS AG (CH) 2009-09-24 US claimed
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
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
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-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
EP-2257529-A2 PYRIDINES AND PYRAZINES AS INHIBITORS OF PI3K Novartis AG (CH) 2010-12-08 EP disclosed
WO-2009115517-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-24 WO 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 ATR 4183/4885PRKCA 4259/4885PRKCQ 4528/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 ATR 4183/4885PRKCA 4259/4885PRKCQ 4528/4885

“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.