SCHEMBL16990418

SCHEMBL16990418

O=S(=O)(c1ccccc1)n1cc(-c2cccnc2)c2cc(F)c(F)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 10/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ TDO2 P48775 1/20 0.44
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 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
SCHEMBL16990428 0.88 HTR6 (0.55) HTR6L3MBTL1CA12CA1CA2
SCHEMBL9405440 0.85 HTR6 (0.52) HTR6L3MBTL1CA12CA1CA2
Hydrochloric Acid SCHEMBL16990349 0.81 HTR6 (0.47) HTR6CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL16697870 0.79 HTR6 (0.48) HTR6L3MBTL1CA12CA1CA2
SCHEMBL16990387 0.78 HTR6 (0.46) HTR6L3MBTL1CA12CA1CA2
SCHEMBL16698111 0.75 GRM4 (0.48) HTR6L3MBTL1CA12CA1CA2
SCHEMBL16698021 0.75 PDK2 (0.46) HTR6L3MBTL1CA12CA1CA2
SCHEMBL16697695 0.74 HTR6 (0.43) HTR6L3MBTL1CA12CA1CA2
SCHEMBL16697223 0.74 HTR6 (0.46) HTR6L3MBTL1CA12CA1CA2
SCHEMBL16697690 0.74 HTR6 (0.46) HTR6CA12CA1CA2CA9

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 61/4885L3MBTL1 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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