SCHEMBL2276301

SCHEMBL2276301

CC1(O)CCC(n2nnc3cnc4c(ccn4S(=O)(=O)c4ccccc4)c32)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C19 P33261 1/20 0.35
HTR6 P50406 11/20 0.35
ALDH1A1 P00352 1/20 0.34
JAK1 P23458 1/20 0.34
DRD2 P14416 3/20 0.33
DRD3 P35462 2/20 0.33
CCR1 P32246 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BAP1 Q92560 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
MET P08581 1/20 0.33
GAA P10253 1/20 0.33
MAOB P27338 2/20 0.32
BRD4 O60885 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
SCHEMBL2279103 0.89 MEN1 (0.36) MEN1KMT2ACYP2C19HTR6ALDH1A1
SCHEMBL2278366 0.87 MEN1 (0.39) MEN1KMT2ACYP2C19HTR6ALDH1A1
SCHEMBL2273128 0.85 JAK1 (0.39) MEN1KMT2ACYP2C19HTR6JAK1
SCHEMBL2278538 0.84 MEN1 (0.38) MEN1KMT2ACYP2C19HTR6JAK1
SCHEMBL2226218 0.81 CYP2C19 (0.36) MEN1KMT2ACYP2C19HTR6ALDH1A1
SCHEMBL2296030 0.81 TP53 (0.41) MEN1KMT2AALDH1A1USP2GAA
SCHEMBL2276105 0.79 JAK1 (0.42) HTR6ALDH1A1JAK1LMNAGAA
SCHEMBL2281459 0.77 JAK1 (0.44) KMT2AHTR6JAK1DRD2MAOB
SCHEMBL2277384 0.76 HTR6 (0.43) CYP2C19HTR6JAK1NPSR1
SCHEMBL2273326 0.76 HTR6 (0.42) CYP2C19HTR6DRD2DRD3HTR1A

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 1997/4885CYP2C19 121/4885

“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.