SCHEMBL2275159

SCHEMBL2275159

COc1ccc(CN2C(=O)CC3CCC(N(c4c(N)cnc5[nH]ccc45)S(=O)(=O)c4ccccc4)CC32)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.36
TYK2 P29597 8/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.34
JAK1 P23458 9/20 0.34
JAK3 P52333 9/20 0.33
FGFR1 P11362 2/20 0.32
FGFR2 P21802 2/20 0.32
FGFR3 P22607 2/20 0.32
KDR P35968 2/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL2272311 0.90 JAK2 (0.40) JAK2TYK2KDM4EALDH1A1POLB
SCHEMBL2282648 0.85 KDM4E (0.37) JAK2TYK2KDM4EALDH1A1POLB
SCHEMBL2276890 0.76 JAK1 (0.40) JAK2TYK2KDM4EALDH1A1POLB
SCHEMBL2272162 0.75 JAK2 (0.40) JAK2TYK2KDM4EALDH1A1POLB
SCHEMBL2275157 0.72 ALDH1A1 (0.39) KDM4EALDH1A1POLBTP53
SCHEMBL2278301 0.72 JAK3 (0.46) JAK2TYK2JAK1JAK3
SCHEMBL2273313 0.71 JAK3 (0.42) JAK2TYK2JAK1JAK3
SCHEMBL2275294 0.71 JAK3 (0.41) JAK2TYK2JAK1JAK3ROCK2
SCHEMBL2225855 0.71 POLB (0.36) JAK2KDM4EALDH1A1POLBTP53
SCHEMBL2283787 0.71 JAK2 (0.41) JAK2TYK2JAK1JAK3

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 122/4885TYK2 827/4885KDM4E 2333/4885

“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.