SCHEMBL3407771

SCHEMBL3407771

CN1CCN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.59
GAA P10253 2/20 0.48
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
ATM Q13315 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL19259699 0.87 CNR1 (0.59) CNR1GAAABL1BCRL3MBTL1
SCHEMBL26970150 0.77 ALDH1A1 (0.70) GAAL3MBTL1POLBALDH1A1LMNA
SCHEMBL1155886 0.76 ATM (0.50) L3MBTL1POLBALDH1A1LMNAATM
SCHEMBL31436933 0.76 ATM (0.50) L3MBTL1POLBALDH1A1LMNAATM
SCHEMBL17843453 0.76 CNR1 (0.52) CNR1GAAABL1BCRL3MBTL1
SCHEMBL4267203 0.75 CNR1 (1.00) CNR1L3MBTL1
SCHEMBL2637275 0.74 CNR1 (0.47) CNR1GAAABL1BCRL3MBTL1
SCHEMBL15916140 0.73 EPHX2 (0.55) L3MBTL1ALDH1A1ATMHTTSMN1; SMN2
SCHEMBL11292063 0.73 ACP1 (0.49) CNR1GAAABL1BCRL3MBTL1
SCHEMBL30253146 0.73 NOTUM (0.49) CNR1

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 8 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
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 CNR1 105/4885GAA 982/4885ABL1 1423/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 CNR1 105/4885GAA 982/4885ABL1 1423/4885

“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.