SCHEMBL1772309

SCHEMBL1772309

O=[N+]([O-])c1cnc2c(c1)c(C1CCC1)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.43
ACHE P22303 2/20 0.39
BRD4 O60885 4/20 0.39
AGTR1 P30556 1/20 0.39
MET P08581 1/20 0.38
TNFSF11 O14788 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL1773025 0.96 HTR6 (0.45) HTR6ACHEBRD4AGTR1MET
SCHEMBL1772298 0.83 HTR6 (0.46) HTR6ACHEBRD4
SCHEMBL1772423 0.81 BRD4 (0.52) HTR6BRD4AGTR1METTNFSF11
SCHEMBL1772606 0.80 BRD4 (0.44) HTR6BRD4AGTR1METALDH1A1
SCHEMBL1772583 0.80 AGTR1 (0.43) BRD4AGTR1METTNFSF11ALDH1A1
SCHEMBL1772515 0.80 BRD4 (0.54) HTR6BRD4AGTR1METTNFSF11
SCHEMBL1772103 0.78 HTR6 (0.48) HTR6BRD4
SCHEMBL1773806 0.78 HTR6 (0.53) HTR6ACHEMET
SCHEMBL1772311 0.76 AGTR1 (0.39) HTR6BRD4AGTR1METTNFSF11
SCHEMBL25422502 0.74 HTR6 (0.40) HTR6ACHEBRD4LMNA

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-8338452-B2 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-25 US disclosed
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Bio Pharma Inc. (US) 2011-05-12 US disclosed
EP-2265608-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111278-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-09-11 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-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF HTR6 4804/4885ACHE 4810/4885BRD4 3329/4885

“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.