SCHEMBL2272162

SCHEMBL2272162

COc1ccc(CN2CCC(N(c3c([N+](=O)[O-])cnc4[nH]ccc34)S(=O)(=O)c3ccccc3)CC2=O)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.40
JAK1 P23458 7/20 0.40
TYK2 P29597 3/20 0.40
JAK3 P52333 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.35
GLA P06280 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BTK Q06187 1/20 0.33
EGLN1 Q9GZT9 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33

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
SCHEMBL2282648 0.89 KDM4E (0.37) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL2272311 0.86 JAK2 (0.40) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL2293608 0.85 JAK2 (0.44) JAK2JAK1TYK2JAK3MEN1
SCHEMBL2293050 0.76 JAK1 (0.44) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL2275159 0.75 JAK2 (0.36) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL2272213 0.75 JAK2 (0.46) JAK2JAK1TYK2JAK3
SCHEMBL2276523 0.74 JAK1 (0.46) JAK2JAK1TYK2JAK3
SCHEMBL2279033 0.74 JAK1 (0.46) JAK2JAK1TYK2
SCHEMBL2283787 0.74 JAK2 (0.41) JAK2JAK1TYK2JAK3
SCHEMBL2275891 0.73 JAK2 (0.53) JAK2JAK1TYK2JAK3

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 122/4885JAK1 434/4885TYK2 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.