SCHEMBL2278366

SCHEMBL2278366

O=S(=O)(c1ccccc1)n1ccc2c1ncc1nnn(C3CCC(O)CC3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
JAK1 P23458 1/20 0.38
CYP2C19 P33261 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
HTR6 P50406 12/20 0.35
MET P08581 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BAP1 Q92560 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAOB P27338 2/20 0.34
BCHE P06276 2/20 0.33
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 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
SCHEMBL2273128 0.88 JAK1 (0.39) MEN1KMT2AJAK1CYP2C19HTR6
SCHEMBL2278538 0.87 MEN1 (0.38) MEN1KMT2AJAK1CYP2C19HTR6
SCHEMBL2276301 0.87 MEN1 (0.37) MEN1KMT2AJAK1CYP2C19HTR6
SCHEMBL2226218 0.86 CYP2C19 (0.36) MEN1KMT2AJAK1CYP2C19HTR6
SCHEMBL2279103 0.85 MEN1 (0.36) MEN1KMT2AJAK1CYP2C19HTR6
SCHEMBL2296030 0.84 TP53 (0.41) MEN1KMT2AUSP2ALDH1A1
SCHEMBL2223730 0.83 JAK1 (0.53) JAK1CYP2C19
SCHEMBL2276105 0.82 JAK1 (0.42) JAK1HTR6LMNAALDH1A1MAOB
SCHEMBL2277347 0.80 JAK1 (0.53) JAK1CYP2C19HTR6
SCHEMBL2281459 0.80 JAK1 (0.44) KMT2AJAK1HTR6MAOBBCHE

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 MEN1 298/4885KMT2A 1997/4885JAK1 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.