SCHEMBL2384884

SCHEMBL2384884

CN1CCN(C(=O)c2nc(Br)c(C(F)(F)F)nc2N)CC1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.51
HSP90AA1 P07900 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
HDAC6 Q9UBN7 3/20 0.37
MAP3K12 Q12852 2/20 0.35
HDAC8 Q9BY41 2/20 0.34
RIPK1 Q13546 2/20 0.34
HTR2A P28223 1/20 0.34
PHGDH O43175 1/20 0.33
CFD P00746 1/20 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
SCHEMBL29699325 1.00 P2RX7 (0.51) P2RX7HSP90AA1KDM4EALDH1A1PKM
SCHEMBL2373230 0.77 HDAC4 (0.41) KDM4EHDAC6HDAC8HTR2A
SCHEMBL17707609 0.70 P2RX7 (0.55) P2RX7HSP90AA1KDM4EALDH1A1PKM
SCHEMBL27906099 0.69 P2RX7 (0.66) P2RX7HSP90AA1KDM4EALDH1A1PKM
Trifluoroacetic Acid SCHEMBL2202389 0.68 P2RX7 (0.53) P2RX7HSP90AA1KDM4EALDH1A1PKM
SCHEMBL24333460 0.68 P2RX7 (0.64) P2RX7HSP90AA1KDM4EALDH1A1PKM
SCHEMBL18913834 0.68 P2RX7 (0.64) P2RX7HSP90AA1KDM4EALDH1A1PKM
SCHEMBL24333207 0.68 P2RX7 (0.64) P2RX7HSP90AA1KDM4EALDH1A1PKM
SCHEMBL4469167 0.67 SLC6A7 (0.55) P2RX7HSP90AA1KDM4EALDH1A1PKM
SCHEMBL4650203 0.67 P2RX7 (0.51) P2RX7HSP90AA1KDM4EALDH1A1PKM

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 18 patents. 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
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
US-20170071919-A1 Pyridine and Pyrazine derivative for the Treatment of CF NOVARTIS AG (CH) 2017-03-16 US disclosed
US-9365552-B2 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2016-06-14 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
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

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

For each of this compound's patents that has machine-readable text (11 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 P2RX7 35/4885HSP90AA1 3744/4885KDM4E 1779/4885
US-20200383960-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis CFTR, OPRK1, CHRM3 P2RX7 39/4885HSP90AA1 3785/4885KDM4E 2343/4885
US-10117858-B2 Pyridine and pyrazine derivative for the treatment of CF CFTR, OPRK1, OPRD1 P2RX7 35/4885HSP90AA1 3744/4885KDM4E 1779/4885
US-20190262324-A1 Pyridine and Pyrazine Derivative for the Treatment of CF CFTR, OPRK1, OPRD1 P2RX7 35/4885HSP90AA1 3744/4885KDM4E 1779/4885
US-20110230483-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 P2RX7 35/4885HSP90AA1 3744/4885KDM4E 1779/4885
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis CFTR, OPRK1, CHRM3 P2RX7 38/4885HSP90AA1 3462/4885KDM4E 1465/4885
US-20240058315-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis CFTR, OPRK1, CHRM3 P2RX7 39/4885HSP90AA1 3785/4885KDM4E 2343/4885
US-20120277232-A1 Pyridine and Pyrazine Derivative for the Treatment of CF CFTR, OPRK1, OPRD1 P2RX7 35/4885HSP90AA1 3744/4885KDM4E 1779/4885
US-20170071919-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 P2RX7 35/4885HSP90AA1 3744/4885KDM4E 1779/4885
US-20150045364-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 P2RX7 35/4885HSP90AA1 3744/4885KDM4E 1779/4885
US-20140135329-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 P2RX7 35/4885HSP90AA1 3744/4885KDM4E 1779/4885

“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.