SCHEMBL17659101

SCHEMBL17659101

C[C@@H](Nc1nnc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cn12)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.45
CNR2 P34972 4/20 0.43
ALDH1A1 P00352 3/20 0.42
ATP1A1 P05023 1/20 0.41
ATP1B1 P05026 1/20 0.41
ATP1A3 P13637 1/20 0.41
ATP1B2 P14415 1/20 0.41
ATP1A2 P50993 1/20 0.41
ATP1B3 P54709 1/20 0.41
FXYD2 P54710 1/20 0.41
ATP1A4 Q13733 1/20 0.41
S1PR1 P21453 1/20 0.37
P2RX7 Q99572 2/20 0.37
IDH1 O75874 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PDE1C Q14123 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 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
SCHEMBL17645966 0.93 HTR6 (0.40) HTR6CNR2ALDH1A1ATP1A1ATP1B1
SCHEMBL17646055 0.93 HTR6 (0.40) HTR6CNR2ALDH1A1ATP1A1ATP1B1
SCHEMBL17681316 0.83 LRRK2 (0.37) HTR6ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL17659149 0.82 ALDH1A1 (0.36) HTR6ALDH1A1ATP1A1ATP1B1ATP1A3
SCHEMBL17659098 0.81 CNR2 (0.41) CNR2ALDH1A1GAAMAPT
SCHEMBL17659105 0.79 OPRD1 (0.41) ALDH1A1LMNAGAAPOLB
SCHEMBL17659107 0.79 OPRD1 (0.41) ALDH1A1LMNAGAAPOLB
SCHEMBL17659106 0.78 ALDH1A1 (0.34) HTR6ALDH1A1ATP1A1ATP1B1ATP1A3
SCHEMBL18532820 0.77 ALDH1A1 (0.47) HTR6ALDH1A1S1PR1LMNAGAA
SCHEMBL17659087 0.76 EGFR (0.36) HTR6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472357-B2 Triazolopyridine compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2019-11-12 US disclosed
US-9926315-B2 Triazolopyridine compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-03-27 US disclosed
US-9926315-B2 Triazolopyridine compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-03-27 US disclosed
US-20170233388-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS APM THERAPEUTICS 1, INC. 2017-08-17 US disclosed
US-20170233388-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS APM THERAPEUTICS 1, INC. 2017-08-17 US disclosed
US-9573948-B2 Triazolopyridine compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB (US) 2017-02-21 US disclosed
US-9573948-B2 Triazolopyridine compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB (US) 2017-02-21 US disclosed
WO-2016057522-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2016-04-14 WO disclosed
US-20160096835-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS APM THERAPEUTICS 1, INC. 2016-04-07 US disclosed
US-20160096835-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS APM THERAPEUTICS 1, INC. 2016-04-07 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-10472357-B2 Triazolopyridine compounds and methods for the treatment of cystic fibrosis CFTR, KCNJ11, KCNJ1 HTR6 3059/4885CNR2 1358/4885ALDH1A1 507/4885
US-20170233388-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, KCNJ11, KCNJ1 HTR6 3059/4885CNR2 1358/4885ALDH1A1 507/4885
US-20160096835-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, KCNJ11, KCNJ1 HTR6 3059/4885CNR2 1358/4885ALDH1A1 507/4885

“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.