SCHEMBL17096629

SCHEMBL17096629

NC(=O)CCn1cc2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4cc(F)ccc34)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.40
HTR2A P28223 4/20 0.40
HTR7 P34969 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MPO P05164 1/20 0.37
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
DRD2 P14416 4/20 0.34
BRD4 O60885 1/20 0.34
GRM2 Q14416 1/20 0.33

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
SCHEMBL17097188 0.93 HTR6 (0.40) HTR6HTR2AHTR7CA12CA1
SCHEMBL17097216 0.84 CA12 (0.41) HTR6HTR2AHTR7CA12CA1
SCHEMBL16698269 0.83 PDK2 (0.44) HTR6HTR2AHTR7CA12CA1
SCHEMBL17097163 0.83 GRM2 (0.40) HTR6HTR2AHTR7CA12CA1
SCHEMBL17097170 0.83 HTR6 (0.40) HTR6HTR2AHTR7CA12CA1
SCHEMBL17097115 0.81 GRM2 (0.40) HTR6HTR2AHTR7CA12CA1
SCHEMBL17097318 0.81 HTR6 (0.41) HTR6HTR2AHTR7CA12CA1
SCHEMBL17097051 0.80 CNR2 (0.41) HTR6HTR2AHTR7BRD4
SCHEMBL17097217 0.80 HTR6 (0.42) HTR6HTR2AHTR7CA12CA1
SCHEMBL17102222 0.79 HTR6 (0.47) HTR6HTR2AHTR7CA12CA1

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
WO-2015140717-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 WO disclosed
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 US disclosed

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 HTR6 47/4885HTR2A 71/4885HTR7 52/4885

“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.