SCHEMBL1773252

SCHEMBL1773252

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

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.58
HTR6 P50406 11/20 0.40
DRD2 P14416 4/20 0.40
HTR2A P28223 4/20 0.40
HTR7 P34969 3/20 0.40
HTR1A P08908 1/20 0.40
MET P08581 2/20 0.38
CYP2C19 P33261 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL1046149 0.91 BRD4 (0.51) BRD4HTR6DRD2HTR2AHTR7
SCHEMBL1050312 0.84 BRD4 (0.64) BRD4HTR6METCYP2C19
SCHEMBL1799967 0.84 BRD4 (0.67) BRD4HTR6METCYP2C19
SCHEMBL1773389 0.84 HTR6 (0.51) BRD4HTR6DRD2HTR2AHTR7
SCHEMBL1043519 0.84 BRD4 (0.58) BRD4HTR6DRD2HTR2AHTR7
SCHEMBL1266871 0.84 BRD4 (0.58) BRD4HTR6DRD2HTR2AHTR7
SCHEMBL1887325 0.84 BRD4 (0.58) BRD4HTR6DRD2HTR2AHTR7
SCHEMBL1268099 0.81 BRD4 (0.58) BRD4HTR6DRD2HTR2AHTR7
SCHEMBL13306676 0.81 BRD4 (0.55) BRD4HTR6DRD2HTR2AHTR7
SCHEMBL3348969 0.81 BRD4 (0.55) BRD4HTR6DRD2HTR2AHTR7

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 3329/4885HTR6 4804/4885DRD2 4835/4885

“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.