SCHEMBL16990416

SCHEMBL16990416

O=S(=O)(c1ccccc1)n1cc(-c2ccc[n+]([O-])c2)c2ccc(F)cc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 12/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CA12 O43570 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ TDO2 P48775 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ ELAVL1 Q15717 2/20 0.44
▸ SLC1A3 P43003 1/20 0.39
▸ SLC1A2 P43004 1/20 0.39
▸ SLC1A1 P43005 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR7 P34969 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
SCHEMBL20451451 0.81 HTR6 (0.56) HTR6L3MBTL1CA12CA9TDO2
SCHEMBL18498711 0.80 HTR6 (0.55) HTR6L3MBTL1CA12CA9CA1
SCHEMBL16990428 0.79 HTR6 (0.55) HTR6L3MBTL1CA12CA9TDO2
SCHEMBL16990291 0.78 HTR6 (0.50) HTR6L3MBTL1CA12CA9TDO2
SCHEMBL17096727 0.77 HTR6 (0.52) HTR6L3MBTL1CA12CA9CA1
SCHEMBL16990273 0.76 HTR6 (0.51) HTR6L3MBTL1CA12CA9CA1
SCHEMBL17097054 0.76 HTR6 (0.48) HTR6L3MBTL1CA12CA9CA1
SCHEMBL16698105 0.76 PDPK1 (0.54) HTR6L3MBTL1CA12CA9CA1
SCHEMBL16990238 0.76 HTR6 (0.50) HTR6L3MBTL1CA12CA9CA1
SCHEMBL16990265 0.76 HTR6 (0.50) HTR6L3MBTL1CA12CA9TDO2

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-9758505-B2 3-(indol-3-yl)-pyridine derivatives, pharmaceutical compositions and methods for use ITEOS THERAPEUTICS (BE) 2017-09-12 — — US disclosed
EP-3105225-A1 NOVEL 3-(INDOL-3-YL)-PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE iTeos Therapeutics (BE) 2016-12-21 — — EP disclosed
WO-2015121812-A1 NOVEL 3-(INDOL-3-YL)-PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-08-20 — — WO 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 61/4885L3MBTL1 4034/4885CA12 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.

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