SCHEMBL2276885

SCHEMBL2276885

CCOC(=O)C1CCC(N(c2c([N+](=O)[O-])cnc3[nH]ccc23)S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.49
JAK2 O60674 2/20 0.49
TYK2 P29597 2/20 0.49
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
JAK3 P52333 3/20 0.43
CTSB P07858 1/20 0.43
VCAM1 P19320 1/20 0.42
TAS2R14 Q9NYV8 4/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR119 Q8TDV5 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.37

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
SCHEMBL2275629 0.92 JAK2 (0.52) JAK1JAK2TYK2MAPK1SMN1; SMN2
SCHEMBL2279766 0.87 JAK3 (0.46) JAK1JAK2TYK2MAPK1JAK3
SCHEMBL2275891 0.85 JAK2 (0.53) JAK1JAK2TYK2JAK3
SCHEMBL2276198 0.82 JAK2 (0.50) JAK1JAK2TYK2JAK3
SCHEMBL2274600 0.82 JAK1 (0.45) JAK1JAK2TYK2JAK3LMNA
SCHEMBL2274553 0.81 JAK2 (0.48) JAK1JAK2TYK2JAK3
SCHEMBL9959458 0.81 JAK1 (0.47) JAK1JAK2TYK2JAK3
SCHEMBL2277042 0.81 JAK2 (0.50) JAK1JAK2TYK2JAK3ALDH1A1
SCHEMBL2276274 0.80 JAK2 (0.51) JAK1JAK2TYK2SMN1; SMN2JAK3
SCHEMBL2274147 0.80 JAK2 (0.45) JAK1JAK2TYK2SMN1; SMN2JAK3

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 122/4885TYK2 827/4885

“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.