SCHEMBL2278657

SCHEMBL2278657

O=[N+]([O-])c1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1N[C@@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
HTR6 P50406 6/20 0.47
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SIGMAR1 Q99720 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
JAK1 P23458 1/20 0.43
ROCK2 O75116 2/20 0.42
SCN1A P35498 4/20 0.41
SCN8A Q9UQD0 4/20 0.41

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
SCHEMBL2278662 1.00 MAPK1 (0.48) MAPK1HTR6BCHEACHEBACE1
SCHEMBL2282617 0.96 MAPK1 (0.54) MAPK1HTR6BCHEACHEBACE1
SCHEMBL2270617 0.95 JAK2 (0.44) MAPK1HTR6BCHEACHEBACE1
SCHEMBL2270606 0.95 JAK2 (0.44) MAPK1HTR6BCHEACHEBACE1
SCHEMBL2277613 0.90 HTR6 (0.41) MAPK1HTR6BCHEACHEBACE1
SCHEMBL2280221 0.90 HTR6 (0.41) MAPK1HTR6BCHEACHEBACE1
SCHEMBL2293598 0.88 MAPK1 (0.40) MAPK1HTR6BCHEACHEBACE1
SCHEMBL2293047 0.87 MAPK1 (0.37) MAPK1HTR6MEN1KMT2ASIGMAR1
SCHEMBL2271805 0.86 JAK2 (0.47) MAPK1MEN1KMT2AJAK1
SCHEMBL2226200 0.86 HTR6 (0.50) HTR6BCHEACHEBACE1JAK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 MAPK1 2009/4885HTR6 3644/4885BCHE 2929/4885

“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.