SCHEMBL11969367

SCHEMBL11969367

O=S(=O)(c1cccc(Br)c1)N1CCN(C2CC2)CC1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.80
L3MBTL3 Q96JM7 1/20 0.80
ALDH1A1 P00352 6/20 0.58
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HPGD P15428 1/20 0.53
KDM4E B2RXH2 3/20 0.51
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPK1 P28482 1/20 0.49
CHRM1 P11229 1/20 0.48
DRD2 P14416 1/20 0.48
GPR183 P32249 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL23682772 0.89 L3MBTL3 (1.00) MBTD1L3MBTL3ALDH1A1HPGDKDM4E
SCHEMBL17007413 0.85 MBTD1 (0.79) MBTD1L3MBTL3ALDH1A1MEN1KMT2A
SCHEMBL3387440 0.82 MBTD1 (0.70) MBTD1L3MBTL3ALDH1A1MEN1KMT2A
SCHEMBL31388283 0.81 ALDH1A1 (0.84) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL263317 0.81 MBTD1 (0.73) MBTD1L3MBTL3ALDH1A1MEN1KMT2A
SCHEMBL3384758 0.81 MBTD1 (0.68) MBTD1L3MBTL3ALDH1A1MEN1KMT2A
SCHEMBL3711340 0.81 MBTD1 (0.68) MBTD1L3MBTL3ALDH1A1MEN1KMT2A
SCHEMBL2379666 0.80 POLB (0.65) MBTD1L3MBTL3MEN1KMT2AGAA
SCHEMBL265068 0.80 MBTD1 (0.71) MBTD1L3MBTL3ALDH1A1MEN1KMT2A
SCHEMBL3391959 0.80 MBTD1 (0.71) MBTD1L3MBTL3ALDH1A1MEN1KMT2A

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 3 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120214800-A1 Organic Compounds AR, TRPA1, IL33 MBTD1 3075/4885L3MBTL3 4093/4885ALDH1A1 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.