Sugi Predict

Sugi Predict / Compounds / SCHEMBL6910948

SCHEMBL6910948

SCHEMBL6910948

O=c1c2c([nH]n1Cc1cn3ccccc3n1)CN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.44
▸ HTR1A P08908 2/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ ADRA1D P25100 2/20 0.44
▸ ADRA1A P35348 2/20 0.44
▸ ADRA1B P35368 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ GAA P10253 2/20 0.39
▸ ALDH1A1 P00352 6/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ HSD17B10 Q99714 4/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ HTR6 P50406 1/20 0.34
▸ USP2 O75604 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
SCHEMBL6911454 0.93 GAA (0.38) DRD4HTR1ADRD2ADRA1DADRA1A
SCHEMBL2358103 0.87 NPC1 (0.39) GAAALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL14150568 0.87 ALDH1A1 (0.43) DRD4HTR1ADRD2ADRA1DADRA1A
SCHEMBL2358302 0.85 DRD4 (0.43) DRD4GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL14152085 0.81 NPC1 (0.39) GAAALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL14150535 0.72 NR3C1 (0.47) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL14150516 0.71 NR3C1 (0.49) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2356115 0.71 MEN1 (0.46) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL2355545 0.69 ALDH1A1 (0.52) GAAALDH1A1SMN1; SMN2KDM4EHSD11B1
SCHEMBL2355541 0.69 MEN1 (0.49) GAAALDH1A1SMN1; SMN2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748456-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-06-10 — — US claimed
US-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 — — US claimed
US-8748456-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-06-10 — — US disclosed
US-8748456-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-06-10 — — US disclosed
US-8748456-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-06-10 — — US disclosed
US-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 — — US disclosed
US-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 — — US disclosed
US-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 — — US disclosed
WO-2011101805-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-08-25 — — 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-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors NOX1, NOX4, NOX5 DRD4 3868/4885HTR1A 3524/4885DRD2 3465/4885

“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.