SCHEMBL2371638

SCHEMBL2371638

Nc1nc(C(F)(F)F)c(Br)nc1C(=O)NCCc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CFTR P13569 2/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
TRPV1 Q8NER1 1/20 0.40
HIF1A Q16665 1/20 0.40
MLYCD O95822 1/20 0.40
NAMPT P43490 1/20 0.40
GSK3B P49841 2/20 0.39

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
SCHEMBL2371468 0.87 HDAC2 (0.48) HDAC2HDAC8HDAC6RAB9ASMN1; SMN2
SCHEMBL14784270 0.76 CFTR (0.42) NPC1ALDH1A1CFTR
SCHEMBL2373050 0.73 ALDH1A1 (0.43) ALDH1A1CFTR
SCHEMBL2372314 0.73 KMT2A (0.50) CFTRADORA2A
SCHEMBL29699276 0.71 CD274 (0.51) SMN1; SMN2ALDH1A1
SCHEMBL2373135 0.71 CD274 (0.51) SMN1; SMN2ALDH1A1
SCHEMBL14784182 0.70 KMT2A (0.45) HDAC8HDAC6SMN1; SMN2NPC1ALDH1A1
SCHEMBL2373143 0.70 CFTR (0.39) CFTRADORA2AGSK3B
SCHEMBL2373130 0.70 CFTR (0.40) CFTRADORA2AADORA1MLYCD
SCHEMBL2373061 0.70 NAMPT (0.40) CFTRNAMPT

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 22 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
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
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-2547656-B1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF NOVARTIS AG (CH) 2015-09-30 EP disclosed
EP-2845593-A1 Pyridine and pyrazine derivative for the treatment of chronic obstructive pulmonary disease Novartis AG (CH) 2015-03-11 EP disclosed
US-20150045364-A1 Pyridine and Pyrazine derivative for the Treatment of CF NOVARTIS AG (CH) 2015-02-12 US 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
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
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 (10 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 HDAC2 1675/4885HDAC8 3415/4885HDAC6 139/4885
US-20200383960-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis CFTR, OPRK1, CHRM3 HDAC2 2067/4885HDAC8 3365/4885HDAC6 218/4885
US-10117858-B2 Pyridine and pyrazine derivative for the treatment of CF CFTR, OPRK1, OPRD1 HDAC2 1675/4885HDAC8 3415/4885HDAC6 139/4885
US-20190262324-A1 Pyridine and Pyrazine Derivative for the Treatment of CF CFTR, OPRK1, OPRD1 HDAC2 1675/4885HDAC8 3415/4885HDAC6 139/4885
US-20110230483-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 HDAC2 1675/4885HDAC8 3415/4885HDAC6 139/4885
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis CFTR, OPRK1, CHRM3 HDAC2 1879/4885HDAC8 3810/4885HDAC6 276/4885
US-20240058315-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis CFTR, OPRK1, CHRM3 HDAC2 2067/4885HDAC8 3365/4885HDAC6 218/4885
US-20120277232-A1 Pyridine and Pyrazine Derivative for the Treatment of CF CFTR, OPRK1, OPRD1 HDAC2 1675/4885HDAC8 3415/4885HDAC6 139/4885
US-20150045364-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 HDAC2 1675/4885HDAC8 3415/4885HDAC6 139/4885
US-20140135329-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 HDAC2 1675/4885HDAC8 3415/4885HDAC6 139/4885

“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.