SCHEMBL2278472

SCHEMBL2278472

Nc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1CCC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.36
DRD2 P14416 2/20 0.35
HTR2A P28223 1/20 0.35
TNF P01375 1/20 0.35
CYP2C19 P33261 1/20 0.33
DRD3 P35462 1/20 0.33
BCHE P06276 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 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
SCHEMBL2283775 0.87 HTR6 (0.40) HTR6DRD2HTR2ATNFDRD3
SCHEMBL2293047 0.86 MAPK1 (0.37) HTR6TNFMEN1ALDH1A1KMT2A
SCHEMBL2281454 0.86 HTR6 (0.50) HTR6BCHE
SCHEMBL2226200 0.86 HTR6 (0.50) HTR6BCHE
SCHEMBL10281628 0.85 HTR6 (0.48) HTR6HTR2APOLB
SCHEMBL10281505 0.84 JAK2 (0.48) HTR6ALDH1A1POLB
SCHEMBL26246793 0.82 PDE4B (0.41) HTR6DRD2HTR2ACYP2C19DRD3
SCHEMBL29809747 0.81 PDE4B (0.43) HTR6DRD2HTR2ACYP2C19DRD3
SCHEMBL2222165 0.81 PDE4B (0.43) HTR6DRD2HTR2ACYP2C19DRD3
SCHEMBL14644516 0.80 CDK7 (0.39) HTR6DRD2HTR2ACYP2C19DRD3

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 HTR6 3644/4885DRD2 3564/4885HTR2A 3028/4885

“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.