SCHEMBL312830

SCHEMBL312830

Nc1ccc(-c2ccc(Cl)cc2)cn1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.79
PIK3CD O00329 4/20 0.69
MAP4K4 O95819 5/20 0.68
CYP1A2 P05177 1/20 0.68
KCNH2 Q12809 1/20 0.68
MINK1 Q8N4C8 1/20 0.68
TNIK Q9UKE5 1/20 0.68
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
BACE1 P56817 1/20 0.48
ADK P55263 1/20 0.47
INPPL1 O15357 1/20 0.47
AOC3 Q16853 1/20 0.47
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL30337416 0.88 PIK3CD (0.70) LTA4HPIK3CDMAP4K4CYP1A2KCNH2
SCHEMBL1257460 0.85 PIK3CD (0.73) LTA4HPIK3CDMAP4K4CYP1A2KCNH2
SCHEMBL29740321 0.85 PIK3CD (0.73) LTA4HPIK3CDMAP4K4CYP1A2KCNH2
SCHEMBL379668 0.83 PIK3CD (0.64) LTA4HPIK3CDMAP4K4CYP1A2KCNH2
SCHEMBL29508267 0.82 MAP4K4 (1.00) LTA4HPIK3CDMAP4K4CYP1A2KCNH2
SCHEMBL1256963 0.81 PIK3CD (0.61) LTA4HPIK3CDMAP4K4CYP1A2KCNH2
SCHEMBL30502351 0.81 PIK3CD (0.61) LTA4HPIK3CDMAP4K4CYP1A2KCNH2
SCHEMBL7809508 0.80 LTA4H (0.55) LTA4HPIK3CDMAP4K4CYP1A2KCNH2
SCHEMBL2839105 0.80 LTA4H (0.55) LTA4HPIK3CDMAP4K4CYP1A2KCNH2
SCHEMBL29787369 0.80

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 64 patents — showing the first 20. 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-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-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-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-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
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
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
WO-2015075749-A1 NOVEL PROCESSES FOR THE PREPARATION OF VEMURAFENIB LAURUS LABS PRIVATE LIMITED (IN) 2015-05-28 WO disclosed
WO-2007039439-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists HOFFMANN-LA ROCHE INC. 2007-03-29 US disclosed
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-09-28 US disclosed
WO-2006099972-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-28 WO disclosed
EP-1558578-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-21 US disclosed
WO-2004039780-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO disclosed
US-4508722-A 1-Benzoyl-3-(arylpyridyl)urea compounds ELI LILLY AND COMPANY (US) 1985-04-02 US disclosed
US-4405552-A INSECTICIDES ELI LILLY AND COMPANY (US) 1983-09-20 US disclosed
EP-0060071-A1 Improvements in or relating to 1-benzoyl-3-(arylpyridyl)urea compounds ELI LILLY AND COMPANY (US) 1982-09-15 EP 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 (4 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-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, TPMT, ACAT1 LTA4H 1330/4885PIK3CD 3641/4885MAP4K4 1878/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R LTA4H 2552/4885PIK3CD 4646/4885MAP4K4 3789/4885
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 LTA4H 1576/4885PIK3CD 1219/4885MAP4K4 300/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 LTA4H 1288/4885PIK3CD 2987/4885MAP4K4 2409/4885

“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.