SCHEMBL3407076

SCHEMBL3407076

Nc1nccnc1C(=O)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.57
F7 P08709 1/20 0.53
F3 P13726 1/20 0.53
SARM1 Q6SZW1 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.53
SIRT6 Q8N6T7 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
SIRT5 Q9NXA8 1/20 0.53
SIRT4 Q9Y6E7 1/20 0.53
CDK5 Q00535 2/20 0.52
CDK5R1 Q15078 2/20 0.52
ALDH1A1 P00352 2/20 0.50
APP P05067 1/20 0.50
GAA P10253 1/20 0.50
HCAR3 P49019 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CCNA2 P20248 3/20 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
SCHEMBL30504303 0.82 ATR (0.57) PRKCIALDH1A1GAAATR
SCHEMBL5682288 0.82 ATR (0.57) PRKCIALDH1A1GAAATR
SCHEMBL3405233 0.81 CDK5 (0.57) PRKCIF7F3SARM1SIRT2
SCHEMBL3409177 0.80 ALDH1A1 (0.50) F7F3SARM1SIRT2SIRT6
SCHEMBL3409170 0.80 NAPRT (0.56) PRKCIF7F3SARM1SIRT2
SCHEMBL29915528 0.78 ALDH1A1 (0.71) F7F3SARM1SIRT2SIRT6
SCHEMBL1242243 0.78 ALDH1A1 (0.71) F7F3SARM1SIRT2SIRT6
SCHEMBL14324877 0.78 SIRT2 (0.59) F7F3SARM1SIRT2SIRT6
Hydrochloric Acid SCHEMBL27841975 0.76 ALDH1A1 (0.68) F7F3SARM1SIRT2SIRT6
SCHEMBL27669301 0.75 PRKCI (0.50) PRKCIATR

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 9 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
CN-102036961-B Pyridine and pyrazine compounds as PI3K inhibitors NOVARTIS AG 2014-02-26 CN 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-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
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 PRKCI 3911/4885F7 964/4885F3 482/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 PRKCI 3911/4885F7 964/4885F3 482/4885

“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.