SCHEMBL3404670

SCHEMBL3404670

COCCNc1ncc(-c2cccc(NC(C)=O)c2)nc1C(=O)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATR Q13535 7/20 0.53
BRAF P15056 6/20 0.53
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
STAT1 P42224 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FYN P06241 2/20 0.46
POLB P06746 1/20 0.45
MCL1 Q07820 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CCNE2 O96020 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL3409686 0.83 ATR (0.55) ATRBRAFNPC1TP53STAT1
SCHEMBL11993582 0.78 CCNE2 (0.49) RAB9APOLBCCNE2CCNE1CDK2
SCHEMBL11969404 0.76 GAA (0.49) SMN1; SMN2TDP1
SCHEMBL3409202 0.72 CCNE2 (0.63) ATRCCNE2CCNE1CDK2GSK3B
SCHEMBL3408468 0.70 CDK5 (0.62) ATR
SCHEMBL9002580 0.70 HTT (0.63) NPC1RAB9ASMN1; SMN2POLB
SCHEMBL2483401 0.70 ATR (1.00) ATR
SCHEMBL1122584 0.69 NPC1 (0.65) ATRBRAFNPC1TP53STAT1
SCHEMBL3408069 0.69 TSHR (0.48) POLBCCNE2CCNE1CDK2GSK3B
SCHEMBL12857500 0.68 NPC1 (0.67) ATRBRAFNPC1TP53STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 4183/4885BRAF 1739/4885NPC1 483/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 ATR 4183/4885BRAF 1739/4885NPC1 483/4885

“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.