SCHEMBL1773389

SCHEMBL1773389

Cc1cn(S(=O)(=O)c2ccccc2)c2ncc(N)cc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.51
BRD4 O60885 5/20 0.47
HTR2A P28223 6/20 0.40
DRD2 P14416 5/20 0.40
HTR7 P34969 5/20 0.40
HTR1A P08908 1/20 0.40
CYP3A4 P08684 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2C19 P33261 1/20 0.38
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37

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
SCHEMBL1773252 0.84 BRD4 (0.58) HTR6BRD4HTR2ADRD2HTR7
SCHEMBL2965430 0.84 BRD4 (0.47) HTR6BRD4HTR2ADRD2HTR7
SCHEMBL1772103 0.80 HTR6 (0.48) HTR6BRD4HTR2ADRD2HTR7
SCHEMBL1772606 0.80 BRD4 (0.44) HTR6BRD4HTR2ADRD2HTR7
SCHEMBL13613784 0.80 KMT2A (0.59) HTR6BRD4HTR2ADRD2HTR7
SCHEMBL1772299 0.79 HTR6 (0.42) HTR6BRD4HTR2ADRD2HTR7
SCHEMBL1772003 0.78 BRD4 (0.55) HTR6BRD4HTR2ADRD2HTR7
SCHEMBL1772298 0.78 HTR6 (0.46) HTR6BRD4HTR2ADRD2HTR7
SCHEMBL1773129 0.78 HTR6 (0.58) HTR6BRD4CYP2C19
SCHEMBL20292926 0.77 CA1 (0.46) 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 3329/4885HTR2A 4847/4885

“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.