Sugi Predict

Sugi Predict / Compounds / SCHEMBL2371582

SCHEMBL2371582

SCHEMBL2371582

O=[N+]([O-])c1cc(C(F)(F)F)cnc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ TDP1 Q9NUW8 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ TXNRD1 Q16881 1/20 0.51
▸ TXNRD3 Q86VQ6 1/20 0.51
▸ TXNRD2 Q9NNW7 1/20 0.51
▸ FGFR4 P22455 1/20 0.45
▸ PTPN5 P54829 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 7/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42

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
SCHEMBL30788051 1.00 ALDH1A1 (0.51) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL11188525 0.81 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL18665461 0.81 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL572669 0.79 TDP1 (0.61) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL573358 0.79 ALDH1A1 (0.51) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL116785 0.79 ALDH1A1 (0.56) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL29439786 0.79 TDP1 (0.61) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL572768 0.79 CYP3A4 (0.51) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL10280706 0.79 ALDH1A1 (0.51) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL30358860 0.79 CYP3A4 (0.51) ALDH1A1CYP3A4TDP1TSHRHPGD

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 57 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
CN-117580569-A Heterocyclic aldehyde capture compounds and uses thereof 奥尔德拉医疗公司 2024-02-20 — — CN disclosed
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 — — 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
EP-2755652-B1 N-SUBSTITUTED HETEROCYCLYL CARBOXAMIDES NOVARTIS AG (CH) 2021-06-02 — — EP disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 — — 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
WO-2013038381-A1 PYRIDINE/PYRAZINE AMIDE DERIVATIVES 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
WO-2013038373-A1 PYRIDINE AMIDE DERIVATIVES NOVARTIS AG (CH) 2013-03-21 — — WO disclosed
WO-2013038390-A1 N-SUBSTITUTED HETEROCYCLYL CARBOXAMIDES 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
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
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 (7 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 ALDH1A1 2710/4885CYP3A4 312/4885TDP1 3387/4885
US-20110230483-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 ALDH1A1 2710/4885CYP3A4 312/4885TDP1 3387/4885
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis CFTR, OPRK1, CHRM3 ALDH1A1 2546/4885CYP3A4 265/4885TDP1 2668/4885
US-20240058315-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis CFTR, OPRK1, CHRM3 ALDH1A1 2914/4885CYP3A4 501/4885TDP1 3600/4885
US-20120277232-A1 Pyridine and Pyrazine Derivative for the Treatment of CF CFTR, OPRK1, OPRD1 ALDH1A1 2710/4885CYP3A4 312/4885TDP1 3387/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ALDH1A1 940/4885CYP3A4 275/4885TDP1 4378/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ALDH1A1 940/4885CYP3A4 275/4885TDP1 4378/4885

“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.