SCHEMBL2291919

SCHEMBL2291919

Nc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1N[C@@H]1CCC[C@@H](O)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.35
BCHE P06276 2/20 0.35
PDE4B Q07343 1/20 0.35
CYP2C19 P33261 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
DRD2 P14416 2/20 0.35
HTR2A P28223 1/20 0.35
ATM Q13315 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MAPK8 P45983 2/20 0.33
DRD3 P35462 1/20 0.33
RORC P51449 1/20 0.33
GAA P10253 1/20 0.33
IRAK1 P51617 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
SCHEMBL2278296 0.94 CYP2C19 (0.37) HTR6BCHEPDE4BCYP2C19JAK1
SCHEMBL26246793 0.89 PDE4B (0.41) HTR6BCHEPDE4BCYP2C19DRD2
SCHEMBL2273309 0.88 ITK (0.38) HTR6BCHEPDE4BCYP2C19DRD2
SCHEMBL2222165 0.88 PDE4B (0.43) HTR6BCHEPDE4BCYP2C19DRD2
SCHEMBL29809747 0.88 PDE4B (0.43) HTR6BCHEPDE4BCYP2C19DRD2
SCHEMBL24491105 0.87 CYP2C19 (0.37) HTR6BCHEPDE4BCYP2C19DRD2
SCHEMBL2279682 0.87 CYP2C19 (0.34) HTR6BCHEPDE4BCYP2C19DRD2
SCHEMBL2295115 0.85 GSK3A (0.36) HTR6BCHEPDE4BCYP2C19JAK1
SCHEMBL2277196 0.85 GSK3A (0.36) HTR6BCHEPDE4BCYP2C19JAK1
SCHEMBL2294466 0.85 ATM (0.37) HTR6BCHEPDE4BCYP2C19DRD2

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 2 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
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US 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 3644/4885BCHE 2929/4885PDE4B 2682/4885

“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.