SCHEMBL3404677

SCHEMBL3404677

CN1CCN(CCNS(=O)(=O)c2cccc(Br)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.66
SIGMAR1 Q99720 4/20 0.56
ATM Q13315 1/20 0.54
HTR6 P50406 4/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR7 P34969 4/20 0.48
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR1A P08908 2/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL2498510 0.89 L3MBTL1 (0.81) L3MBTL1SIGMAR1ATMMAPK1HTR7
Hydrochloric Acid SCHEMBL7966303 0.88 L3MBTL1 (0.79) L3MBTL1SIGMAR1ATMMAPK1HTR7
SCHEMBL1346829 0.86 L3MBTL1 (0.65) L3MBTL1SIGMAR1ALDH1A1MAPK1MEN1
Hydrochloric Acid SCHEMBL7966700 0.85 L3MBTL1 (0.63) L3MBTL1SIGMAR1ALDH1A1MAPK1POLB
SCHEMBL17374111 0.84 PRMT1 (0.54) L3MBTL1SIGMAR1HTR6ALDH1A1MAPK1
SCHEMBL17374138 0.83 HTR7 (0.66) L3MBTL1SIGMAR1ALDH1A1HTR7HTR1A
SCHEMBL17373973 0.80 MEN1 (0.67) L3MBTL1HTR6ALDH1A1MEN1KMT2A
SCHEMBL23682666 0.80 L3MBTL1 (1.00) L3MBTL1SIGMAR1ATMHTR6ALDH1A1
SCHEMBL23718113 0.78 L3MBTL1 (0.74) L3MBTL1SIGMAR1ATMALDH1A1MEN1
SCHEMBL3386980 0.77 ATM (0.66) L3MBTL1SIGMAR1ATMALDH1A1KMT2A

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 L3MBTL1 3906/4885SIGMAR1 293/4885ATM 2529/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 L3MBTL1 3906/4885SIGMAR1 293/4885ATM 2529/4885

“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.