SCHEMBL3404657

SCHEMBL3404657

O=Cc1cccnc1-c1nccnc1N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
PIK3CA P42336 4/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CG P48736 2/20 0.40
PIK3CB P42338 1/20 0.40
PRKDC P78527 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.39
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
PDE10A Q9Y233 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PTK2 Q05397 1/20 0.38

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
SCHEMBL101958 0.87 CYP1A2 (0.56) CYP1A2CYP2C9ALDH1A1MAPTMAPK1
SCHEMBL3404089 0.84 CYP1A2 (0.41) CYP1A2CYP2C9ALDH1A1MAPTMAPK1
SCHEMBL15959211 0.76 CYP1A2 (0.51) CYP1A2CYP2C9MAPK1PIK3CAPIK3CD
SCHEMBL29773795 0.74 TRIM24 (0.61) ALDH1A1GAATRIM24TRIM33KDM4E
SCHEMBL29728417 0.72 CYP1A2 (0.53) CYP1A2CYP2C9ALDH1A1MAPTMAPK1
SCHEMBL3302627 0.72 CYP1A2 (0.53) CYP1A2CYP2C9ALDH1A1MAPTMAPK1
SCHEMBL3778169 0.71 CYP1A2 (0.49) CYP1A2CYP2C9ALDH1A1MAPTMAPK1
SCHEMBL3778174 0.71 CYP1A2 (0.49) CYP1A2CYP2C9ALDH1A1MAPTMAPK1
SCHEMBL3301348 0.71 CYP1A2 (0.55) CYP1A2CYP2C9ALDH1A1GAATRIM24
SCHEMBL3214714 0.70 CYP1A2 (0.51) CYP1A2CYP2C9ALDH1A1MAPTMAPK1

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 7 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
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
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 CYP1A2 94/4885CYP2C9 193/4885ALDH1A1 150/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 CYP1A2 94/4885CYP2C9 193/4885ALDH1A1 150/4885

“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.