SCHEMBL16990396

SCHEMBL16990396

COc1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3cc(F)ccc23)cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.47
TDO2 P48775 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
DRD2 P14416 3/20 0.44
HTR2A P28223 3/20 0.44
HTR7 P34969 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.42
KCNH2 Q12809 2/20 0.41
HTR1A P08908 1/20 0.41
PIK3CA P42336 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL16990273 0.87 HTR6 (0.51) HTR6CA12CA1CA2CA9
SCHEMBL16990259 0.86 HTR6 (0.50) HTR6TDO2CA12CA1CA2
SCHEMBL16990401 0.84 HTR6 (0.48) HTR6TDO2CA12CA1CA2
SCHEMBL16990265 0.84 HTR6 (0.50) HTR6TDO2CA12CA1CA2
SCHEMBL16990238 0.84 HTR6 (0.50) HTR6CA12CA1CA2CA9
SCHEMBL16990362 0.83 HTR6 (0.47) HTR6TDO2CA12CA1CA2
Hydrochloric Acid SCHEMBL16990224 0.83 HTR6 (0.49) HTR6TDO2CA12CA1CA2
SCHEMBL16990423 0.82 TDO2 (0.55) HTR6TDO2CA12CA1CA2
SCHEMBL16990284 0.82 TDO2 (0.62) HTR6TDO2HTR2AHTR7MEN1
SCHEMBL18498701 0.81 HTR6 (0.50) HTR6TDO2CA12CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758505-B2 3-(indol-3-yl)-pyridine derivatives, pharmaceutical compositions and methods for use ITEOS THERAPEUTICS (BE) 2017-09-12 US disclosed
US-20150225367-A1 NOVEL 3-(INDOL-3-YL)-PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-08-13 US 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-20150225367-A1 NOVEL 3-(INDOL-3-YL)-PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 HTR6 61/4885TDO2 1/4885CA12 4681/4885

“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.