SCHEMBL107591

SCHEMBL107591

CCOc1cccc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.49
BTK Q06187 1/20 0.45
NOS3 P29474 1/20 0.45
NOS2 P35228 1/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
NCF1 P14598 1/20 0.41
MCHR1 Q99705 6/20 0.41
TLR8 Q9NR97 1/20 0.40
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL2525163 0.84 MAPK8 (0.56) MAPK8BTKALDH1A1NPC1MAPK1
SCHEMBL3133230 0.82 MCHR1 (0.55) NOS3NOS2ALDH1A1NPC1MAPK1
SCHEMBL18578440 0.81 MCHR1 (0.56) NPC1MAPK1RAB9ANCF1MCHR1
SCHEMBL29545328 0.81 MCHR1 (0.56) NPC1MAPK1RAB9ANCF1MCHR1
SCHEMBL28004747 0.80 NOS3 (0.42) NOS3NOS2NCF1MCHR1ASIC3
SCHEMBL13498402 0.79 NOS3 (0.40) NOS3NOS2NCF1MCHR1ASIC3
SCHEMBL14896853 0.79 NUDT1 (0.59) NOS3NOS2NCF1MCHR1ASIC3
SCHEMBL1964751 0.79 TSHR (0.41) NOS3NOS2NCF1MCHR1TSHR
SCHEMBL16511922 0.78 BTK (0.65) MAPK8BTKALDH1A1NPC1MAPK1
SCHEMBL2062738 0.77 MCHR1 (0.40) NOS3NOS2NCF1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482341-B2 N-(pyridin-2-yl)-benzenesulfonamides; antidiabetic agents for Type II Diabetes; obesity; 11beta-hydroxysteroid dehydrogenase inhibitors HOFFMANN-LA ROCHE INC. (US) 2009-01-27 US claimed
WO-2006037501-A9 ALKIL-PYRIDINES AS 11-BETA INHIBITORS FOR DIABETES HOFFMANN LA ROCHE (CH) 2007-08-02 WO claimed
US-20060074237-A1 N-(pyridin-2-yl)-benzenesulfonamides; hypotensive agents; antidiabetic agents for Type II Diabetes; obesity, eating disorders, dyslipidemia; 11beta-hydroxysteroid dehydrogenase inhibitors HOFFMANN-LA ROCHE INC. 2006-04-06 US claimed
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 US claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed
US-12516063-B2 Substituted 7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide derivatives for treating autoimmune diseases ELI LILLY AND COMPANY (US) 2026-01-06 US disclosed
WO-2025226545-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION PRETZEL THERAPEUTICS, INC. (US) 2025-10-30 WO disclosed
EP-4103279-B1 SUBSTITUTED 7-(METHYLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES LILLY CO ELI (US) 2024-05-01 EP disclosed
CN-115052660-B Substituted 7- (methylamino) pyrazolo [1,5-a ] pyrimidine-3-carboxamide derivatives 伊莱利利公司 2024-01-09 CN disclosed
US-20230136885-A1 SUBSTITUTED 7-(METHYLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES ELI LILLY AND COMPANY 2023-05-04 US disclosed
US-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-03-23 US disclosed
EP-0705260-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1996-04-10 EP disclosed
US-5464781-A TREATING RHEUMATIC DISEASES THE BOOTS COMPANY PLC (GB) 1995-11-07 US disclosed
WO-1995000511-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed
CN-1096784-A Therapeutic agents containing substituted 4(5) -amino-1, 8-diaminonaphthalenes BOOTS CO PLC (GB) 1994-12-28 CN disclosed
EP-0618916-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES Knoll AG (DE) 1994-10-12 EP disclosed
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 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 (5 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 MAPK8 3728/4885BTK 2072/4885NOS3 3846/4885
US-20060074237-A1 N-(pyridin-2-yl)-benzenesulfonamides; hypotensive agents; antidiabetic agents for Type II Diabetes; obesity, eating disorders, dyslipidemia; 11beta-hydroxysteroid dehydrogenase inhibitors HSD3B1, HSD3B2, HSD11B2 MAPK8 4091/4885BTK 3747/4885NOS3 1084/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 MAPK8 3728/4885BTK 2072/4885NOS3 3846/4885
US-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK2, IRAK1 MAPK8 632/4885BTK 15/4885NOS3 3140/4885
US-20230136885-A1 SUBSTITUTED 7-(METHYLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES SSB, IL1R1, SLC5A1 MAPK8 291/4885BTK 541/4885NOS3 925/4885

“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.