SCHEMBL17659149

SCHEMBL17659149

CC(C)N(C(C)C)S(=O)(=O)c1ccc2nnc(N[C@H](C)c3ccccc3)n2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ATP1A1 P05023 3/20 0.36
ATP1B1 P05026 3/20 0.36
ATP1A3 P13637 3/20 0.36
ATP1B2 P14415 3/20 0.36
ATP1A2 P50993 3/20 0.36
ATP1B3 P54709 3/20 0.36
FXYD2 P54710 3/20 0.36
ATP1A4 Q13733 3/20 0.36
LMNA P02545 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2B6 P20813 1/20 0.34
P2RX7 Q99572 2/20 0.34
PTGS2 P35354 1/20 0.34
NR1H4 Q96RI1 2/20 0.33

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
SCHEMBL17659106 0.93 ALDH1A1 (0.34) ALDH1A1GAASMN1; SMN2ATP1A1ATP1B1
SCHEMBL17659105 0.88 OPRD1 (0.41) ALDH1A1GAASMN1; SMN2LMNAKDM4E
SCHEMBL17659107 0.88 OPRD1 (0.41) ALDH1A1GAASMN1; SMN2LMNAKDM4E
SCHEMBL17645966 0.86 HTR6 (0.40) ALDH1A1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL17646055 0.86 HTR6 (0.40) ALDH1A1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL17659101 0.82 HTR6 (0.45) ALDH1A1GAAATP1A1ATP1B1ATP1A3
SCHEMBL17645916 0.80 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2KDM4EPOLBKMT2A
SCHEMBL17645918 0.80 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2KDM4EPOLBKMT2A
SCHEMBL17681316 0.78 LRRK2 (0.37) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL17659074 0.78 LMNA (0.39) ALDH1A1GAASMN1; SMN2LMNAKDM4E

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 ALDH1A1 507/4885GAA 409/4885SMN1; SMN2 3936/4885
US-20170233388-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, KCNJ11, KCNJ1 ALDH1A1 507/4885GAA 409/4885SMN1; SMN2 3936/4885
US-20160096835-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, KCNJ11, KCNJ1 ALDH1A1 507/4885GAA 409/4885SMN1; SMN2 3936/4885

“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.