SCHEMBL1772606

SCHEMBL1772606

Cc1cn(S(=O)(=O)c2ccccc2)c2ncc([N+](=O)[O-])cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
AGTR1 P30556 1/20 0.43
HTR6 P50406 2/20 0.41
MET P08581 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.40
DRD2 P14416 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HRH1 P35367 1/20 0.40
ADRA1B P35368 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL1772583 0.86 AGTR1 (0.43) BRD4KMT2AMEN1AGTR1MET
SCHEMBL1772515 0.86 BRD4 (0.54) BRD4KMT2AMEN1AGTR1HTR6
SCHEMBL1773025 0.82 HTR6 (0.45) BRD4KMT2AMEN1AGTR1HTR6
SCHEMBL496782 0.82 MEN1 (0.55) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL1772311 0.81 AGTR1 (0.39) BRD4KMT2AMEN1AGTR1HTR6
SCHEMBL1772309 0.80 HTR6 (0.43) BRD4KMT2AMEN1AGTR1HTR6
SCHEMBL1772423 0.80 BRD4 (0.52) BRD4KMT2AMEN1AGTR1HTR6
SCHEMBL1773389 0.80 HTR6 (0.51) BRD4HTR6CYP3A4DRD2SLC6A2
SCHEMBL2965430 0.80 BRD4 (0.47) BRD4HTR6LMNAGAACYP3A4
SCHEMBL20292908 0.80 KMT2A (0.44) KMT2AMEN1METLMNAALDH1A1

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 BRD4 3329/4885KMT2A 3354/4885MEN1 624/4885

“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.