SCHEMBL16698393

SCHEMBL16698393

CC(C)(C)OC(=O)NCCn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3cc(F)ccc23)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
HTR6 P50406 6/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
GNRHR P30968 1/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
PDK2 Q15119 1/20 0.38
PDPK1 O15530 1/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
BRD4 O60885 1/20 0.36
GRM2 Q14416 1/20 0.35
PARG Q86W56 1/20 0.35
PDCD1 Q15116 1/20 0.35

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
SCHEMBL16697666 0.88 PDK2 (0.47) HTR6HTR2AHTR7PDK2PDPK1
SCHEMBL16703343 0.88 HTR6 (0.44) HTR6HTR2AHTR7PDK2PDPK1
SCHEMBL16698189 0.88 HTR6 (0.40) SCN9AHTR6HTR2AHTR7PDK2
SCHEMBL16698202 0.87 HTR6 (0.41) ALOX5APFEN1HTR6HTR2AHTR7
SCHEMBL16697938 0.83 HTR6 (0.42) HTR6HTR2AHTR7PDPK1BRD4
SCHEMBL16698245 0.82 HTR6 (0.48) FEN1HTR6HTR2AHTR7PDK2
SCHEMBL16697663 0.81 HTR6 (0.47) SCN9AHTR6HTR2AHTR7PDPK1
SCHEMBL16698470 0.81 HTR6 (0.46) HTR6HTR2AHTR7SLC1A3SLC1A2
SCHEMBL16698269 0.81 PDK2 (0.44) HTR6HTR2AHTR7PDK2PDPK1
SCHEMBL16698494 0.80 HTR6 (0.44) HTR6HTR2AHTR7PDPK1

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
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
US-20150328228-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-11-19 US disclosed
US-9126984-B2 4-(indol-3-yl)-pyrazole derivatives, pharmaceutical compositions and methods for use ITEOS THERAPEUTICS SA (BE) 2015-09-08 US disclosed
WO-2015067782-A1 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-05-14 WO disclosed
US-20150133422-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS SA (BE) 2015-05-14 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 (3 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-20150133422-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 SCN9A 4588/4885ALOX5AP 626/4885FEN1 4528/4885
US-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, TPH1 SCN9A 4206/4885ALOX5AP 790/4885FEN1 4623/4885
US-20150328228-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 SCN9A 4512/4885ALOX5AP 570/4885FEN1 4533/4885

“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.