SCHEMBL2371687

SCHEMBL2371687

CCOC(=O)c1nc(C(F)(F)F)c(C(F)(F)F)nc1N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
IDO1 P14902 1/20 0.50
ALDH1A1 P00352 6/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 4/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 3/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
HDAC4 P56524 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL30206229 0.88 KDM4E (0.50) KDM4EIDO1ALDH1A1CYP1A2HPGD
SCHEMBL14783264 0.88 KDM4E (0.50) KDM4EIDO1ALDH1A1CYP1A2HPGD
SCHEMBL2371732 0.88 KDM4E (0.50) KDM4EIDO1ALDH1A1CYP1A2HPGD
SCHEMBL2843820 0.82 ALDH1A1 (0.59) KDM4EALDH1A1CYP1A2HPGDHTT
SCHEMBL14966882 0.78 KDM4E (0.64) KDM4EIDO1ALDH1A1HPGDNPSR1
SCHEMBL13528406 0.78 KDM4E (0.46) KDM4EIDO1ALDH1A1CYP1A2HPGD
SCHEMBL2371415 0.77 KDM4E (0.52) KDM4EIDO1ALDH1A1CYP1A2HPGD
SCHEMBL30206120 0.77 KDM4E (0.52) KDM4EIDO1ALDH1A1CYP1A2HPGD
SCHEMBL10370830 0.77 KDM4E (0.55) KDM4EIDO1ALDH1A1CYP1A2HPGD
SCHEMBL30867279 0.76 KDM4E (0.50) KDM4EIDO1ALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20200383960-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis NOVARTIS AG (CH) 2020-12-10 US disclosed
US-20190262324-A1 Pyridine and Pyrazine Derivative for the Treatment of CF NOVARTIS AG (CH) 2019-08-29 US disclosed
US-10117858-B2 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2018-11-06 US disclosed
US-RE46757-E1 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2018-03-20 US disclosed
EP-2755652-A1 N-SUBSTITUTED HETEROCYCLYL CARBOXAMIDES Novartis AG (CH) 2014-07-23 EP 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
WO-2013038390-A1 N-SUBSTITUTED HETEROCYCLYL CARBOXAMIDES NOVARTIS AG (CH) 2013-03-21 WO disclosed
WO-2013038386-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CYSTIC FIBROSIS NOVARTIS AG (CH) 2013-03-21 WO disclosed
EP-2547656-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF Novartis AG (CH) 2013-01-23 EP 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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 KDM4E 1779/4885IDO1 624/4885ALDH1A1 2710/4885
US-20200383960-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis CFTR, OPRK1, CHRM3 KDM4E 2343/4885IDO1 685/4885ALDH1A1 2914/4885
US-10117858-B2 Pyridine and pyrazine derivative for the treatment of CF CFTR, OPRK1, OPRD1 KDM4E 1779/4885IDO1 624/4885ALDH1A1 2710/4885
US-20190262324-A1 Pyridine and Pyrazine Derivative for the Treatment of CF CFTR, OPRK1, OPRD1 KDM4E 1779/4885IDO1 624/4885ALDH1A1 2710/4885
US-20110230483-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 KDM4E 1779/4885IDO1 624/4885ALDH1A1 2710/4885
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis CFTR, OPRK1, CHRM3 KDM4E 1465/4885IDO1 223/4885ALDH1A1 2546/4885
US-20240058315-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis CFTR, OPRK1, CHRM3 KDM4E 2343/4885IDO1 685/4885ALDH1A1 2914/4885
US-20120277232-A1 Pyridine and Pyrazine Derivative for the Treatment of CF CFTR, OPRK1, OPRD1 KDM4E 1779/4885IDO1 624/4885ALDH1A1 2710/4885
US-20140135329-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 KDM4E 1779/4885IDO1 624/4885ALDH1A1 2710/4885

“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.