SCHEMBL3021756

SCHEMBL3021756

Cn1cnc(-c2nnc[nH]2)n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.33
PPARA Q07869 1/20 0.31

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
SCHEMBL20969942 0.72 PPARA (0.40) PPARA
SCHEMBL15748053 0.70
SCHEMBL12131262 0.67
SCHEMBL569596 0.64
SCHEMBL21233172 0.62 ALDH1A1 (0.36)
SCHEMBL13184124 0.60 APOBEC3G (0.43)
SCHEMBL21547856 0.59
SCHEMBL21547877 0.59 L3MBTL1 (0.42)
SCHEMBL20031405 0.59 PPARA (0.36) TYK2PPARA
SCHEMBL21408699 0.59 PPARA (0.46) TYK2PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662159-B2 ABHD6 and dual ABHD6/MGL inhibitors and their uses MAKSCIENTIFIC, LLC (US) 2020-05-26 US disclosed
US-20190152917-A1 ABHD6 AND DUAL ABHD6/MGL INHIBITORS AND THEIR USES MAKSCIENTIFIC, LLC 2019-05-23 US disclosed
US-20100204245-A1 Amino-pyridines As Inhibitors Of Beta-secretase WYETH LLC (US) 2010-08-12 US disclosed
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation WYETH LLC (US) 2010-07-01 US disclosed
US-7732457-B2 Amino-pyridines as inhibitors of β-secretase WYETH LLC (US) 2010-06-08 US disclosed
US-7705030-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH LLC (US) 2010-04-27 US disclosed
US-7601847-B2 Via lithium bis(trimethylsilyl)amide, lithium dicyclohexylamide, or potassium bis(trimethylsilyl)amide base and alkylating agent; atherosclerosis, myocardial infarction, congestive heart failure, inflammatory bowel disease, arthritis, type II diabetes, multiple sclerosis and rheumatoid arthritis WYETH (US) 2009-10-13 US disclosed
US-7585871-B2 4-{[(6R)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; 3-{[(6S)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; 4-{[(6S)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; cytokine expression WYETH (US) 2009-09-08 US disclosed
US-20090042908-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR BETA-SECRETASE MODULATION WYETH (US) 2009-02-12 US disclosed
EP-1542976-B1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH CORP (US) 2009-02-04 EP disclosed
US-20060173049-A1 enzyme inhibitors such as 6-{2-(2-Chloro-phenyl)-5-[4-(pyrimidin-2-yloxy)-phenyl]pyrrol-1-ylmethyl}-pyridin-2-ylamine, used to treat beta-amyloid deposits and neurofibrillary tangles; Alzheimer's disease WYETH (US) 2006-08-03 US disclosed
US-20060111574-A1 Preparation and purification of 4-(indazol-3-yl) phenols WYETH (US) 2006-05-25 US disclosed
US-20060058337-A1 Phenanthridine carbonyl phenols WYETH (US) 2006-03-16 US disclosed
WO-2006028875-A1 PHENANTHRIDINE CARBONYL PHENOLS AS CYTOKINE MODULATORS WYETH (US) 2006-03-16 WO disclosed
WO-2005123664-A2 PROCESSES FOR THE PREPARATION OF 2-CYANO-3-NAPHTHALENE-1-YL-ACRYLIC ACID ALKYL OR BENZYL ESTERS WYETH (US) 2005-12-29 WO disclosed
US-20050277783-A1 Processes for the preparation of 2-cyano-3-naphthalene-1-yl-3-phenyl-propionic acid alkyl or benzyl esters WYETH (US) 2005-12-15 US disclosed
US-20050277784-A1 Processes for the preparation of 2-cyano-3-naphthalene-1-yl-acrylic acid alkyl or benzyl esters WYETH (US) 2005-12-15 US disclosed
US-20050256132-A1 Use of ER selective NF-kB inhibitors for the treatment of sepsis WYETH (US) 2005-11-17 US disclosed
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use WYETH 2005-01-06 US disclosed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US 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 (13 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-20050277783-A1 Processes for the preparation of 2-cyano-3-naphthalene-1-yl-3-phenyl-propionic acid alkyl or benzyl esters PCCA, PAH, CYP7A1 TYK2 1317/4885PPARA 107/4885
US-20050256132-A1 Use of ER selective NF-kB inhibitors for the treatment of sepsis NFKBIA, IKBKB, NFKB2 TYK2 3006/4885PPARA 1127/4885
US-10662159-B2 ABHD6 and dual ABHD6/MGL inhibitors and their uses ABHD6, FAAH, FAAH2 TYK2 4639/4885PPARA 2217/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 TYK2 123/4885PPARA 1241/4885
US-20090042908-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR BETA-SECRETASE MODULATION BACE1, BACE2, APP TYK2 4259/4885PPARA 4019/4885
US-20050277784-A1 Processes for the preparation of 2-cyano-3-naphthalene-1-yl-acrylic acid alkyl or benzyl esters TNF, ACACA, PCCA TYK2 962/4885PPARA 471/4885
US-20190152917-A1 ABHD6 AND DUAL ABHD6/MGL INHIBITORS AND THEIR USES ABHD6, FAAH, FAAH2 TYK2 4639/4885PPARA 2217/4885
US-20100204245-A1 Amino-pyridines As Inhibitors Of Beta-secretase BACE1, BACE2, APP TYK2 4033/4885PPARA 2792/4885
US-20060058337-A1 Phenanthridine carbonyl phenols MT-CO2, PAH, CBR3 TYK2 1151/4885PPARA 919/4885
US-20060173049-A1 enzyme inhibitors such as 6-{2-(2-Chloro-phenyl)-5-[4-(pyrimidin-2-yloxy)-phenyl]pyrrol-1-ylmethyl}-pyridin-2-ylamine, used to treat beta-amyloid deposits and neurofibrillary tangles; Alzheimer's disease BACE1, BACE2, PSEN1 TYK2 2739/4885PPARA 1578/4885
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use HCAR2, PCCA, MCCC2 TYK2 2346/4885PPARA 258/4885
US-20060111574-A1 Preparation and purification of 4-(indazol-3-yl) phenols H1-10, KCNH3, H1-0 TYK2 466/4885PPARA 4116/4885
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation BACE1, BACE2, APP TYK2 4230/4885PPARA 4043/4885

“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.