SCHEMBL3405191

SCHEMBL3405191

Nc1ncc(-c2ccnc(Cl)c2)nc1C(=O)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.61
CDK5R1 Q15078 1/20 0.61
PIK3CD O00329 1/20 0.60
ATR Q13535 15/20 0.49
CYP3A4 P08684 1/20 0.47
CYP19A1 P11511 1/20 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
SCHEMBL3411415 0.86 PIK3CD (0.68) CDK5CDK5R1PIK3CDATRCYP3A4
SCHEMBL3405958 0.86 CDK5 (0.61) CDK5CDK5R1PIK3CDATRCYP3A4
SCHEMBL3404649 0.86 CDK5 (0.69) CDK5CDK5R1PIK3CDATRCYP3A4
SCHEMBL3408335 0.85 PIK3CD (0.67) CDK5CDK5R1PIK3CDATRCYP3A4
SCHEMBL11992015 0.85 CDK5 (0.67) CDK5CDK5R1PIK3CDATRCYP3A4
SCHEMBL3402771 0.84 CDK5 (0.66) CDK5CDK5R1PIK3CDATRCYP3A4
SCHEMBL3407317 0.84 CDK5 (0.63) CDK5CDK5R1PIK3CDATRCYP3A4
SCHEMBL3402725 0.84 PIK3CD (0.65) CDK5CDK5R1PIK3CDATRCYP3A4
SCHEMBL3411419 0.84 ATR (0.62) CDK5CDK5R1PIK3CDATRCYP3A4
SCHEMBL3408468 0.83 CDK5 (0.62) CDK5CDK5R1PIK3CDATRCYP3A4

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 23 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
CN-102036961-A Pyridine and pyrazine compounds as PI3K inhibitors NOVARTIS AG 2011-04-27 CN 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-20120214800-A1 Organic Compounds NOVARTIS AG (CH) 2012-08-23 US disclosed
CN-102036961-A Pyridine and pyrazine compounds as PI3K inhibitors NOVARTIS AG 2011-04-27 CN 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 CDK5 4241/4885CDK5R1 3299/4885PIK3CD 4406/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 CDK5 4241/4885CDK5R1 3299/4885PIK3CD 4406/4885

“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.