SCHEMBL16697643

SCHEMBL16697643

CC(C)(C)OC(=O)N1CC(n2cc(-c3cn(S(=O)(=O)c4ccccc4)c4cc(F)ccc34)cn2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.47
RET P07949 1/20 0.41
JAK1 P23458 1/20 0.41
MET P08581 1/20 0.40
SCN9A Q15858 1/20 0.39
PDPK1 O15530 1/20 0.38
BCHE P06276 1/20 0.37
NR1H2 P55055 1/20 0.37
BACE1 P56817 2/20 0.37
BACE2 Q9Y5Z0 2/20 0.37
TNK2 Q07912 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
PIK3CA P42336 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36

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
SCHEMBL16698398 0.92 MET (0.48) HTR6METTNK2
SCHEMBL16698237 0.88 HTR6 (0.44) HTR6JAK1PDPK1HTR2AHTR7
SCHEMBL16703155 0.88 JAK1 (0.43) HTR6JAK1PDPK1HTR2AHTR7
SCHEMBL16698470 0.87 HTR6 (0.46) HTR6BCHENR1H2BACE1BACE2
SCHEMBL16698270 0.87 JAK1 (0.44) HTR6JAK1PDPK1HTR2AHTR7
SCHEMBL16698402 0.86 JAK1 (0.42) HTR6JAK1PDPK1HTR2AHTR7
SCHEMBL16697663 0.85 HTR6 (0.47) HTR6SCN9APDPK1NR1H2HTR2A
SCHEMBL16697449 0.83 MAP3K7 (0.40) HTR6JAK1METPDPK1HTR2A
SCHEMBL16697746 0.83 HTR6 (0.47) HTR6BCHE
SCHEMBL16697789 0.82 MAP3K7 (0.49) HTR6MET

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 HTR6 101/4885RET 2430/4885JAK1 314/4885
US-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, TPH1 HTR6 84/4885RET 3251/4885JAK1 513/4885
US-20150328228-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 HTR6 144/4885RET 2915/4885JAK1 408/4885

“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.