SCHEMBL2277387

SCHEMBL2277387

O=S(=O)(c1ccccc1)c1nc2[nH]ccc2c2c1nnn2C1CCCN(Cc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.50
JAK3 P52333 13/20 0.50
JAK1 P23458 12/20 0.50
TYK2 P29597 10/20 0.50
HTR6 P50406 2/20 0.47
KMT2A Q03164 1/20 0.38
PDE8B O95263 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2271356 0.82 JAK2 (0.47) JAK2JAK3JAK1TYK2HTR6
SCHEMBL2278372 0.80 PIK3CA (0.40) JAK2JAK3JAK1TYK2
SCHEMBL2273137 0.80 JAK1 (0.43) JAK2JAK3JAK1TYK2
SCHEMBL2278543 0.79 JAK1 (0.41) JAK2JAK3JAK1TYK2
SCHEMBL2226222 0.78 JAK1 (0.37) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL2271023 0.78 JAK2 (0.43) JAK2JAK3JAK1TYK2HTR6
SCHEMBL2272884 0.77 JAK2 (0.72) JAK2JAK3JAK1TYK2
SCHEMBL2272891 0.77 JAK2 (0.72) JAK2JAK3JAK1TYK2
SCHEMBL2279110 0.77 JAK1 (0.37) JAK2JAK3JAK1TYK2
SCHEMBL2276309 0.77 JAK1 (0.37) JAK2JAK3JAK1TYK2

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 JAK2 122/4885JAK3 780/4885JAK1 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.