SCHEMBL1772298

SCHEMBL1772298

Nc1cnc2c(c1)c(C1CCC1)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.46
BRD4 O60885 4/20 0.41
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.38
FFAR2 O15552 1/20 0.38
ACHE P22303 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 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
SCHEMBL1772103 0.95 HTR6 (0.48) HTR6BRD4HTR1ADRD2HTR2A
SCHEMBL1772309 0.83 HTR6 (0.43) HTR6BRD4ACHE
SCHEMBL1773806 0.81 HTR6 (0.53) HTR6DRD2ACHE
SCHEMBL1772003 0.80 BRD4 (0.55) HTR6BRD4HTR1ADRD2HTR2A
SCHEMBL1773252 0.78 BRD4 (0.58) HTR6BRD4HTR1ADRD2HTR2A
SCHEMBL1773389 0.78 HTR6 (0.51) HTR6BRD4HTR1ADRD2HTR2A
SCHEMBL1773025 0.78 HTR6 (0.45) HTR6BRD4ACHE
SCHEMBL1772886 0.76 HTR6 (0.55) HTR6DRD2
SCHEMBL25422502 0.76 HTR6 (0.40) HTR6BRD4ACHE
SCHEMBL1799962 0.74 BRD4 (0.54) HTR6BRD4

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 4804/4885BRD4 3329/4885HTR1A 4609/4885

“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.