SCHEMBL1346652

SCHEMBL1346652

Nc1ncc(-c2ccc(Cl)cc2)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 15/20 0.58
▸ CYP1A2 P05177 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ MINK1 Q8N4C8 1/20 0.54
▸ TNIK Q9UKE5 1/20 0.54
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ LTA4H P09960 1/20 0.45
▸ CLK1 P49759 1/20 0.44
▸ USP7 Q93009 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
SCHEMBL4477476 0.85 MAP4K4 (0.45) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL2324810 0.81 PIK3CD (0.51) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL1091494 0.81 MAP4K4 (0.51) MAP4K4CYP1A2HTTKMT2AUSP7
SCHEMBL3596246 0.81 MAP4K4 (0.53) MAP4K4HTTKMT2ACLK1USP7
SCHEMBL2976390 0.81 MAP4K4 (0.62) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL28030764 0.79 MAP4K4 (0.87) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL11234159 0.79 HTT (0.50) MAP4K4HTTKMT2AUSP7
SCHEMBL18263118 0.78 MAP4K4 (0.58) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL10017414 0.78 MAP4K4 (0.58) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL313209 0.78 MAP4K4 (0.58) MAP4K4CYP1A2KCNH2MINK1TNIK

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805192-B Tricyclic XOR/URAT1 dual inhibitor containing 2-hydroxybenzoic acid and preparation method and application thereof 华南理工大学 2023-05-23 — — CN disclosed
CN-114805192-A Tricyclic XOR/URAT1 dual inhibitor containing 2-hydroxybenzoic acid and preparation method and application thereof 华南理工大学 2022-07-29 — — CN 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-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
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-20100210642-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES GATTI MCARTHUR SILVIA 2010-08-19 — — US disclosed
US-7718661-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-05-18 — — US disclosed
EP-1863818-B1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-03-10 — — EP disclosed
US-20080300250-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES GATTI MCARTHUR SILVIA 2008-12-04 — — US disclosed
US-7446113-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-11-04 — — US disclosed
EP-1863818-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 — — EP disclosed
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives MCARTHUR SILVIA G 2007-07-19 — — US disclosed
US-7238808-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-07-03 — — 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

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

For each of this compound's patents that has machine-readable text (6 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-20100210642-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES NAT1, TPMT, ACAT1 MAP4K4 1878/4885CYP1A2 119/4885KCNH2 623/4885
US-20080300250-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES NAT1, TPMT, ACAT1 MAP4K4 1878/4885CYP1A2 119/4885KCNH2 623/4885
US-20140288308-A1 NOVEL PROCESSES FOR THE MANUFACTURE OF PROPANE-1-SULFONIC ACID -AMIDE SULT1A1, FASN, COASY MAP4K4 403/4885CYP1A2 55/4885KCNH2 3521/4885
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, TPMT, ACAT1 MAP4K4 1878/4885CYP1A2 119/4885KCNH2 623/4885
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, ADORA2B, TPMT MAP4K4 1665/4885CYP1A2 72/4885KCNH2 518/4885
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 MAP4K4 300/4885CYP1A2 47/4885KCNH2 3239/4885

“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.

Send feedback