SCHEMBL2283775

SCHEMBL2283775

Nc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1CCN(Cc2ccccc2)C(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.40
DRD2 P14416 2/20 0.35
DRD3 P35462 1/20 0.35
JAK1 P23458 4/20 0.35
JAK2 O60674 3/20 0.35
TYK2 P29597 3/20 0.35
JAK3 P52333 3/20 0.35
HTR2A P28223 1/20 0.34
TNF P01375 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL10281628 0.88 HTR6 (0.48) HTR6JAK1JAK2TYK2JAK3
SCHEMBL2278472 0.87 HTR6 (0.36) HTR6DRD2DRD3HTR2ATNF
SCHEMBL2226200 0.87 HTR6 (0.50) HTR6JAK1JAK2TYK2JAK3
SCHEMBL2281454 0.87 HTR6 (0.50) HTR6JAK1JAK2TYK2JAK3
SCHEMBL2293598 0.87 MAPK1 (0.40) HTR6MMP1MMP2MMP3MMP7
SCHEMBL2282644 0.86 KDM4E (0.41) HTR6DRD2HTR2AMMP1MMP2
SCHEMBL10281505 0.85 JAK2 (0.48) HTR6JAK1JAK2TYK2JAK3
SCHEMBL26246793 0.81 PDE4B (0.41) HTR6DRD2DRD3HTR2A
SCHEMBL2222165 0.80 PDE4B (0.43) HTR6DRD2DRD3HTR2A
SCHEMBL29809747 0.80 PDE4B (0.43) HTR6DRD2DRD3HTR2A

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 3564/4885DRD3 3022/4885

“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.