Pyridine

Pyridine

SCHEMBL406925

C=CON.c1ccncc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
Pyridine SCHEMBL28413811 0.82
Pyridine SCHEMBL9403576 0.80 TSHR (0.53) TSHRNAPRTTDP1
Pyridine SCHEMBL18279121 0.78
Pyridine SCHEMBL93456 0.76 TSHR (0.64) TSHRNAPRTTDP1
Benzene SCHEMBL28903529 0.76 TSHR (0.64) TSHRNAPRTTDP1
Pyridine SCHEMBL7904130 0.74
Pyridine SCHEMBL25300535 0.73
Pyridine SCHEMBL2955429 0.73
Pyridine SCHEMBL5508547 0.73
Pyridine SCHEMBL7938666 0.73

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556172-B2 Processes for the manufacture of propane-1-sulfonic acid (3-[5-(4-chloro-phenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl)-amide HOFFMAN LA-ROCHE INC. (US) 2017-01-31 US disclosed
US-20160083378-A1 NOVEL PROCESSES FOR THE MANUFACTURE OF PROPANE-1-SULFONIC ACID (3-[5-(4-CHLORO-PHENYL)-1H-PYRROLO[2,3-b]PYRIDINE-3-CARBONYL]-2,4-DIFLUORO-PHENYL)-AMIDE HOFFMANN LA ROCHE (US) 2016-03-24 US disclosed
US-9150594-B2 Processes for the manufacture of propane-1-sulfonic acid {3-[5-(4-chloro-phenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl}-amide HOFFMANN-LA ROCHE INC. (US) 2015-10-06 US disclosed
EP-2595958-B1 NOVEL PROCESSES FOR THE MANUFACTURE OF PROPANE-1-SULFONIC ACID {3-[5-(4-CHLORO-PHENYL)-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBONYL]-2,4-DIFLUORO-PHENYL}-AMIDE HOFFMANN LA ROCHE (CH) 2015-04-29 EP disclosed
US-20140288308-A1 NOVEL PROCESSES FOR THE MANUFACTURE OF PROPANE-1-SULFONIC ACID -AMIDE HOFFMANN LA ROCHE (US) 2014-09-25 US disclosed
US-8779150-B2 Processes for the manufacture of propane-1-sulfonic acid {3-[5-(4-chloro-phenyl)-1 H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl}-amide HOFFMANN-LA ROCHE INC. (US) 2014-07-15 US disclosed
EP-2595958-A2 NOVEL PROCESSES FOR THE MANUFACTURE OF PROPANE-1-SULFONIC ACID {3-[5-(4-CHLORO-PHENYL)-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBONYL]-2,4-DIFLUORO-PHENYL}-AMIDE F.HOFFMANN-LA ROCHE AG (CH) 2013-05-29 EP disclosed
US-20120022258-A1 Novel Processes for the manufacture of Propane-1-sulfonic acid -amide F. HOFFMANN-LA ROCHE AG (CH) 2012-01-26 US disclosed
WO-2012010538-A2 NOVEL PROCESSES FOR THE MANUFACTURE OF PROPANE-1-SULFONIC ACID {3-[5-(4-CHLORO-PHENYL)-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBONYL]-2,4-DIFLUORO-PHENYL}-AMIDE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-26 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 (3 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-20140288308-A1 NOVEL PROCESSES FOR THE MANUFACTURE OF PROPANE-1-SULFONIC ACID -AMIDE SULT1A1, FASN, COASY TSHR 3835/4885NAPRT 489/4885TDP1 4388/4885
US-20160083378-A1 NOVEL PROCESSES FOR THE MANUFACTURE OF PROPANE-1-SULFONIC ACID (3-[5-(4-CHLORO-PHENYL)-1H-PYRROLO[2,3-b]PYRIDINE-3-CARBONYL]-2,4-DIFLUORO-PHENYL)-AMIDE ALDH18A1, PFAS, PCCA TSHR 3806/4885NAPRT 899/4885TDP1 4127/4885
US-20120022258-A1 Novel Processes for the manufacture of Propane-1-sulfonic acid -amide SULT1A1, FASN, COASY TSHR 3835/4885NAPRT 489/4885TDP1 4388/4885

“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.