SCHEMBL16703152

SCHEMBL16703152

CCOC(Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3cc(F)ccc23)cn1)OCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.41
HTR2A P28223 5/20 0.40
HTR7 P34969 4/20 0.40
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 4/20 0.38
PDPK1 O15530 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TTK P33981 1/20 0.36
MAPK8 P45983 1/20 0.36
HTR1A P08908 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL16698365 0.85 HTR6 (0.42) HTR6HTR2AHTR7SLC1A3SLC1A2
SCHEMBL16697878 0.83 HTR6 (0.41) HTR6HTR2AHTR7SLC1A3SLC1A2
SCHEMBL16698106 0.83 HTR6 (0.41) HTR6HTR2AHTR7SLC1A3SLC1A2
SCHEMBL16697138 0.83 HTR6 (0.46) HTR6HTR2AHTR7SLC1A3SLC1A2
SCHEMBL16703450 0.82 HTR6 (0.41) HTR6HTR2AHTR7SLC1A3SLC1A2
SCHEMBL16703377 0.82 HTR6 (0.41) HTR6HTR2AHTR7SLC1A3SLC1A2
SCHEMBL16698494 0.81 HTR6 (0.44) HTR6HTR2AHTR7L3MBTL1DRD2
SCHEMBL16703397 0.81 HTR6 (0.46) HTR6HTR2AHTR7SLC1A3SLC1A2
SCHEMBL16697620 0.81 HTR6 (0.46) HTR6HTR2AHTR7L3MBTL1DRD2
SCHEMBL16698245 0.81 HTR6 (0.48) HTR6HTR2AHTR7SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2016-09-15 US disclosed
EP-3066090-A1 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE iTeos Therapeutics (BE) 2016-09-14 EP disclosed
WO-2015067782-A1 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-05-14 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-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, TPH1 HTR6 84/4885HTR2A 94/4885HTR7 39/4885

“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.