SCHEMBL2278296

SCHEMBL2278296

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.37
JAK1 P23458 4/20 0.37
JAK3 P52333 4/20 0.37
JAK2 O60674 2/20 0.37
HTR6 P50406 9/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 1/20 0.36
BCHE P06276 2/20 0.35
DRD3 P35462 1/20 0.34
ITK Q08881 1/20 0.34
MKNK1 Q9BUB5 4/20 0.33
MKNK2 Q9HBH9 4/20 0.33
PDE4B Q07343 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
SCHEMBL2291919 0.94 HTR6 (0.35) CYP2C19JAK1JAK3HTR6DRD2
SCHEMBL2273309 0.94 ITK (0.38) CYP2C19HTR6DRD2HTR2ABCHE
SCHEMBL25398338 0.89 CYP2C19 (0.35) CYP2C19HTR6DRD2HTR2ABCHE
SCHEMBL14643457 0.88 CYP2C19 (0.37) CYP2C19HTR6DRD2HTR2ABCHE
SCHEMBL14644516 0.87 CDK7 (0.39) CYP2C19HTR6DRD2HTR2ADRD3
SCHEMBL26246793 0.87 PDE4B (0.41) CYP2C19HTR6DRD2HTR2ABCHE
SCHEMBL14644056 0.86 PIK3C3 (0.36) CYP2C19HTR6DRD2HTR2ABCHE
SCHEMBL2222165 0.86 PDE4B (0.43) CYP2C19HTR6DRD2HTR2ABCHE
SCHEMBL29809747 0.86 PDE4B (0.43) CYP2C19HTR6DRD2HTR2ABCHE
SCHEMBL24491105 0.85 CYP2C19 (0.37) CYP2C19HTR6DRD2HTR2ABCHE

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 121/4885JAK1 434/4885JAK3 780/4885

“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.