SCHEMBL17096901

SCHEMBL17096901

NC(=O)Cn1cnc2cc(-c3cn(S(=O)(=O)c4ccccc4)c4cc(F)ccc34)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
F10 P00742 3/20 0.41
HTR6 P50406 7/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41
LMNA P02545 1/20 0.39
F2 P00734 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
PTGDR Q13258 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
PRSS1 P07477 1/20 0.37
ALDH3A1 P30838 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37

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
SCHEMBL17097260 0.93 GRM2 (0.41) GRM2CA12CA1CA2CA9
SCHEMBL17097163 0.91 GRM2 (0.40) GRM2CA12CA1CA2CA9
SCHEMBL17097115 0.84 GRM2 (0.40) GRM2CA12CA1CA2CA9
SCHEMBL17097216 0.81 CA12 (0.41) GRM2CA12CA1CA2CA9
SCHEMBL17096847 0.81 HTR6 (0.42) CA12CA1CA2CA9HTR6
SCHEMBL16697916 0.79 HTR6 (0.44) CA12CA1CA2CA9HTR6
SCHEMBL17097004 0.78 HPGD (0.44) CA12CA1CA2CA9HTR6
SCHEMBL16990422 0.78 TDO2 (0.47) CA12CA1CA2CA9HTR6
SCHEMBL17096629 0.78 HTR6 (0.40) GRM2CA12CA1CA2CA9
SCHEMBL16990436 0.78 TDO2 (0.53) CA12CA1CA2CA9HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3119763-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Iteos Therapeutics (BE) 2017-01-25 EP disclosed
WO-2015140717-A9 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2016-03-24 WO disclosed
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 US disclosed
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 US disclosed
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 US disclosed
WO-2015140717-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 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-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 GRM2 2108/4885CA12 4186/4885CA1 3346/4885

“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.