SCHEMBL2226200

SCHEMBL2226200

Nc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1N[C@@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.50
JAK1 P23458 2/20 0.45
ROCK2 O75116 3/20 0.45
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
SCN1A P35498 3/20 0.43
SCN8A Q9UQD0 3/20 0.43
MALT1 Q9UDY8 1/20 0.43
CXCR4 P61073 1/20 0.42
CCR2 P41597 1/20 0.42
ROCK1 Q13464 1/20 0.42
JAK2 O60674 3/20 0.42
JAK3 P52333 3/20 0.42
TYK2 P29597 1/20 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
SCHEMBL2281454 1.00 HTR6 (0.50) HTR6JAK1ROCK2BCHEACHE
SCHEMBL10281628 0.95 HTR6 (0.48) HTR6JAK1ROCK2ACHEROCK1
SCHEMBL10281505 0.95 JAK2 (0.48) HTR6JAK1ROCK2CCR2ROCK1
SCHEMBL2283775 0.87 HTR6 (0.40) HTR6JAK1JAK2JAK3TYK2
SCHEMBL2278662 0.86 MAPK1 (0.48) HTR6JAK1ROCK2BCHEACHE
SCHEMBL2278657 0.86 MAPK1 (0.48) HTR6JAK1ROCK2BCHEACHE
SCHEMBL2278472 0.86 HTR6 (0.36) HTR6BCHE
SCHEMBL26246793 0.83 PDE4B (0.41) HTR6BCHE
SCHEMBL25280075 0.83 HTR6 (0.37) HTR6BCHE
SCHEMBL2278720 0.83 JAK2 (0.40) HTR6JAK1JAK2

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 HTR6 3644/4885JAK1 434/4885ROCK2 2291/4885

“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.