SCHEMBL2271348

SCHEMBL2271348

O=S(=O)(c1ccccc1)n1ccc2c1ncc1nc(CCO)n([C@@H]3CCCN(Cc4ccccc4)C3)c12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 8/20 0.41
JAK2 O60674 7/20 0.41
HTR6 P50406 4/20 0.40
JAK3 P52333 5/20 0.40
TYK2 P29597 4/20 0.40
CYP2D6 P10635 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2271018 0.86 L3MBTL1 (0.38) JAK1JAK2HTR6JAK3TYK2
SCHEMBL10281967 0.85 JAK2 (0.44) JAK1JAK2HTR6JAK3TYK2
SCHEMBL2277746 0.84 JAK1 (0.45) JAK1JAK2HTR6JAK3TYK2
SCHEMBL15006506 0.83 L3MBTL1 (0.38) JAK1JAK2HTR6JAK3TYK2
SCHEMBL12384868 0.82 HTR6 (0.37) JAK1JAK2HTR6JAK3TYK2
SCHEMBL2224293 0.81 JAK1 (0.46) JAK1JAK2HTR6JAK3TYK2
SCHEMBL2278565 0.81 JAK1 (0.60) JAK1JAK2HTR6JAK3TYK2
SCHEMBL2278047 0.81 JAK2 (0.44) JAK1JAK2HTR6JAK3TYK2
SCHEMBL2277384 0.81 HTR6 (0.43) JAK1JAK2HTR6JAK3TYK2
SCHEMBL2228322 0.80 JAK1 (0.52) JAK1JAK2HTR6JAK3TYK2

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 JAK1 434/4885JAK2 122/4885HTR6 3644/4885

“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.