SCHEMBL2277384

SCHEMBL2277384

O=S(=O)(c1ccccc1)n1ccc2c1ncc1nnn([C@@H]3CCCN(Cc4ccccc4)C3)c12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.43
JAK2 O60674 5/20 0.43
JAK1 P23458 5/20 0.43
TYK2 P29597 4/20 0.43
JAK3 P52333 4/20 0.43
NPSR1 Q6W5P4 1/20 0.38
CYP2D6 P10635 2/20 0.36
CHRM3 P20309 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2278565 0.85 JAK1 (0.60) HTR6JAK2JAK1TYK2JAK3
SCHEMBL10281967 0.84 JAK2 (0.44) HTR6JAK2JAK1TYK2JAK3
SCHEMBL2271348 0.81 JAK1 (0.41) HTR6JAK2JAK1TYK2JAK3
SCHEMBL2282176 0.80 JAK1 (0.59) HTR6JAK2JAK1TYK2JAK3
SCHEMBL2278366 0.79 MEN1 (0.39) HTR6JAK1NPSR1CYP2C19
SCHEMBL2273128 0.79 JAK1 (0.39) HTR6JAK1NPSR1CYP2C19
SCHEMBL2278538 0.78 MEN1 (0.38) HTR6JAK1NPSR1CYP2C19
SCHEMBL15006506 0.78 L3MBTL1 (0.38) HTR6JAK2JAK1TYK2JAK3
SCHEMBL2226218 0.78 CYP2C19 (0.36) HTR6JAK1NPSR1CYP2C19
SCHEMBL2271018 0.77 L3MBTL1 (0.38) HTR6JAK2JAK1TYK2JAK3

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
WO-2013007765-A1 FUSED TRICYCLIC COMPOUNDS FOR USE AS INHIBITORS OF JANUS KINASES F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO 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
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 3644/4885JAK2 122/4885JAK1 434/4885

“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.