SCHEMBL2226218

SCHEMBL2226218

NC1CCC(n2nnc3cnc4c(ccn4S(=O)(=O)c4ccccc4)c32)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MET P08581 1/20 0.34
HTR6 P50406 14/20 0.34
DRD2 P14416 3/20 0.33
HTR2A P28223 2/20 0.33
MAOB P27338 2/20 0.33
JAK1 P23458 1/20 0.33
DRD3 P35462 2/20 0.32
HTR1A P08908 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BAP1 Q92560 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR1F P30939 1/20 0.31

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
SCHEMBL2278366 0.86 MEN1 (0.39) CYP2C19MEN1KMT2AMETHTR6
SCHEMBL2273128 0.84 JAK1 (0.39) CYP2C19MEN1KMT2AMETHTR6
SCHEMBL2278538 0.83 MEN1 (0.38) CYP2C19MEN1KMT2AMETHTR6
SCHEMBL2278926 0.83 JAK1 (0.47) CYP2C19METHTR6DRD2HTR2A
SCHEMBL2276105 0.82 JAK1 (0.42) HTR6MAOBJAK1LMNAALDH1A1
SCHEMBL2273417 0.81 JAK2 (0.40) CYP2C19HTR6JAK1
SCHEMBL2276301 0.81 MEN1 (0.37) CYP2C19MEN1KMT2AMETHTR6
SCHEMBL2281459 0.80 JAK1 (0.44) KMT2AHTR6DRD2MAOBJAK1
SCHEMBL2279103 0.80 MEN1 (0.36) CYP2C19MEN1KMT2AMETHTR6
SCHEMBL2226057 0.79 JAK1 (0.51) CYP2C19METHTR6DRD2HTR2A

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 CYP2C19 121/4885MEN1 298/4885KMT2A 1997/4885

“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.