SCHEMBL11928232

SCHEMBL11928232

Cc1cc(Cl)ccc1-c1nc(C(=O)O)c(N)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFTR P13569 9/20 0.54
GRM2 Q14416 1/20 0.40
KDM4C Q9H3R0 2/20 0.38
KMO O15229 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
RORC P51449 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
SCN9A Q15858 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36
FAAH O00519 2/20 0.35
MGLL Q99685 1/20 0.35
MRGPRX4 Q96LA9 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
SCHEMBL29699354 0.88 CFTR (0.64) CFTRRORC
SCHEMBL2371637 0.88 CFTR (0.64) CFTRRORC
SCHEMBL2372275 0.87 CFTR (0.57) CFTRMRGPRX4
SCHEMBL29699295 0.87 CFTR (0.57) CFTRMRGPRX4
SCHEMBL27906135 0.83 CFTR (0.47) CFTRGRM2KDM4CGPBAR1SCN9A
SCHEMBL2372324 0.81 CFTR (0.47) CFTRGRM2GPBAR1SCN9AMGLL
SCHEMBL14816565 0.81 CFTR (0.52) CFTRTMPRSS4
SCHEMBL29699235 0.81 CFTR (0.59) CFTR
SCHEMBL2372320 0.81 CFTR (0.59) CFTR
SCHEMBL27906132 0.81 CFTR (0.45) CFTRGRM2KDM4CGPBAR1SCN9A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755652-B1 N-SUBSTITUTED HETEROCYCLYL CARBOXAMIDES NOVARTIS AG (CH) 2021-06-02 EP claimed
CN-103930109-B The substituted heterocyclyl amides of N- NOVARTIS AG (CH) 2016-11-30 CN claimed
EP-2547656-B1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF NOVARTIS AG (CH) 2015-09-30 EP claimed
US-9056867-B2 N-substituted heterocyclyl carboxamides NOVARTIS AG (CH) 2015-06-16 US claimed
EP-2845593-A1 Pyridine and pyrazine derivative for the treatment of chronic obstructive pulmonary disease Novartis AG (CH) 2015-03-11 EP claimed
CN-102892758-B Pyridine and pyrazine derivatives for the treatment of CF NOVARTIS AG 2015-01-07 CN claimed
US-20140323485-A1 N-Substituted Heterocyclyl Carboxamides NOVARTIS AG (CH) 2014-10-30 US claimed
CN-103930109-A N-substituted heterocyclyl carboxamides NOVARTIS AG 2014-07-16 CN claimed
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis NOVARTIS AG (CH) 2024-02-27 US disclosed
US-20240058315-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis NOVARTIS AG (CH) 2024-02-22 US disclosed
CN-113891744-A Pyridine and pyrazine derivatives for the treatment of CF, COPD and bronchiectasis 诺华股份有限公司 2022-01-04 CN disclosed
US-20210228554-A1 Pyridine and Pyrazine Derivative for the Treatment of CF NOVARTIS AG (CH) 2021-07-29 US disclosed
EP-2755652-B1 N-SUBSTITUTED HETEROCYCLYL CARBOXAMIDES NOVARTIS AG (CH) 2021-06-02 EP disclosed
WO-2020250116-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF, COPD, AND BRONCHIECTASIS NOVARTIS AG (CH) 2020-12-17 WO disclosed
US-20140135329-A1 Pyridine and Pyrazine derivative for the Treatment of CF BAETTIG URS (GB) 2014-05-15 US disclosed
US-8476269-B2 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2013-07-02 US disclosed
EP-2547656-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF Novartis AG (CH) 2013-01-23 EP disclosed
CN-102892758-A Pyridine and pyrazine derivatives for the treatment of CF NOVARTIS AG 2013-01-23 CN disclosed
US-20120277232-A1 Pyridine and Pyrazine Derivative for the Treatment of CF NOVARTIS AG 2012-11-01 US disclosed
US-8247436-B2 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2012-08-21 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 (6 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-20210228554-A1 Pyridine and Pyrazine Derivative for the Treatment of CF CFTR, OPRK1, OPRD1 CFTR 1/4885GRM2 3994/4885KDM4C 3418/4885
US-20140323485-A1 N-Substituted Heterocyclyl Carboxamides CFTR, AQP1, BDKRB1 CFTR 1/4885GRM2 4418/4885KDM4C 4243/4885
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis CFTR, OPRK1, CHRM3 CFTR 1/4885GRM2 3684/4885KDM4C 2935/4885
US-20240058315-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis CFTR, OPRK1, CHRM3 CFTR 1/4885GRM2 4264/4885KDM4C 3629/4885
US-20120277232-A1 Pyridine and Pyrazine Derivative for the Treatment of CF CFTR, OPRK1, OPRD1 CFTR 1/4885GRM2 3994/4885KDM4C 3418/4885
US-20140135329-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 CFTR 1/4885GRM2 3994/4885KDM4C 3418/4885

“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.