SCHEMBL2371668

SCHEMBL2371668

Nc1nc(C(F)(F)F)c(C(F)(F)F)nc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
CFTR P13569 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 1/20 0.33
PDPK1 O15530 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
ASPH Q12797 1/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL29699348 0.85 CFTR (0.38) PLAUTDP1CFTRHSD17B10HTT
SCHEMBL14783292 0.85 TDP1 (0.46) PLAUTDP1HSD17B10HTTKDM4E
SCHEMBL2372260 0.85 CFTR (0.38) PLAUTDP1CFTRHSD17B10HTT
SCHEMBL2168565 0.84 ALDH1A1 (0.36) TDP1CFTRHSD17B10HTTKDM4E
SCHEMBL14784037 0.81 CYP3A4 (0.39) PLAUTDP1CFTRHSD17B10KDM4E
SCHEMBL14784661 0.79 P2RX7 (0.40) CFTRKDM4EALDH1A1MAPT
SCHEMBL14782957 0.77 PLAU (0.42) PLAUTDP1ALDH1A1
SCHEMBL588905 0.77 TDP1 (0.44) PLAUTDP1HSD17B10HTTPDPK1
SCHEMBL14720790 0.74 TDP1 (0.43) PLAUTDP1HSD17B10HTTKDM4E
SCHEMBL2371687 0.74 KDM4E (0.55) HTTKDM4EALDH1A1HPGDMAPT

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 63 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
US-20140323485-A1 N-Substituted Heterocyclyl Carboxamides NOVARTIS AG (CH) 2014-10-30 US claimed
EP-2755652-A1 N-SUBSTITUTED HETEROCYCLYL CARBOXAMIDES Novartis AG (CH) 2014-07-23 EP claimed
WO-2013038390-A1 N-SUBSTITUTED HETEROCYCLYL CARBOXAMIDES NOVARTIS AG (CH) 2013-03-21 WO claimed
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis NOVARTIS AG (CH) 2024-02-27 US disclosed
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis NOVARTIS AG (CH) 2024-02-27 US disclosed
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
EP-3980121-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF, COPD, AND BRONCHIECTASIS Novartis AG (CH) 2022-04-13 EP disclosed
US-20210228554-A1 Pyridine and Pyrazine Derivative for the Treatment of CF NOVARTIS AG (CH) 2021-07-29 US 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
US-8247436-B2 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2012-08-21 US disclosed
US-8247436-B2 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2012-08-21 US disclosed
US-8247436-B2 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2012-08-21 US disclosed
WO-2011113894-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF NOVARTIS AG (CH) 2011-09-22 WO disclosed
US-20110230483-A1 Pyridine and Pyrazine derivative for the Treatment of CF NOVARTIS AG 2011-09-22 US disclosed
US-20110230483-A1 Pyridine and Pyrazine derivative for the Treatment of CF NOVARTIS AG 2011-09-22 US disclosed
WO-2011113894-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF NOVARTIS AG (CH) 2011-09-22 WO disclosed
US-20110230483-A1 Pyridine and Pyrazine derivative for the Treatment of CF NOVARTIS AG 2011-09-22 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 (5 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 PLAU 4269/4885TDP1 3387/4885CFTR 1/4885
US-20140323485-A1 N-Substituted Heterocyclyl Carboxamides CFTR, AQP1, BDKRB1 PLAU 4348/4885TDP1 3839/4885CFTR 1/4885
US-20110230483-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 PLAU 4269/4885TDP1 3387/4885CFTR 1/4885
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis CFTR, OPRK1, CHRM3 PLAU 4422/4885TDP1 2668/4885CFTR 1/4885
US-20240058315-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis CFTR, OPRK1, CHRM3 PLAU 4332/4885TDP1 3600/4885CFTR 1/4885

“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.