SCHEMBL4206359

SCHEMBL4206359

Brc1ccccc1-c1nn[nH]n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 1.00
ALDH1A1 P00352 2/20 0.73
MEN1 O00255 1/20 0.73
KMT2A Q03164 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
IDO1 P14902 2/20 0.61
GAA P10253 1/20 0.61
LDHA P00338 1/20 0.61
GPR35 Q9HC97 3/20 0.50
ATM Q13315 1/20 0.50
HPGDS O60760 1/20 0.49
KDM4E B2RXH2 2/20 0.47
ADH5 P11766 1/20 0.47
XDH P47989 2/20 0.46
PKM P14618 1/20 0.46
CYP2A6 P11509 1/20 0.46
GP6 Q9HCN6 1/20 0.46

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
SCHEMBL22051457 0.82 PBRM1 (0.69) PBRM1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL22053134 0.78 PBRM1 (0.63) PBRM1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3397464 0.76 ALDH1A1 (0.73) PBRM1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8294492 0.76 ALDH1A1 (0.73) PBRM1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8429622 0.76 GAA (1.00) PBRM1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8294486 0.76 LDHA (1.00) PBRM1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL14844440 0.76 ALDH1A1 (0.73) PBRM1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL14262602 0.76 MEN1 (0.73) PBRM1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2645790 0.76 ALDH1A1 (0.73) PBRM1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL30153550 0.76 MEN1 (0.80) PBRM1ALDH1A1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273573-A1 INHIBITORS OF MENAQUINONE BIOSYNTHESIS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2018-09-27 US disclosed
EP-3356447-A1 INHIBITORS OF MENAQUINONE BIOSYNTHESIS Memorial Sloan-Kettering Cancer Center (US) 2018-08-08 EP disclosed
WO-2017059411-A9 INHIBITORS OF MENAQUINONE BIOSYNTHESIS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-08-31 WO disclosed
WO-2017059411-A9 INHIBITORS OF MENAQUINONE BIOSYNTHESIS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-08-31 WO disclosed
US-7879893-B2 Zinc binding ligand; sustained release of insulin NOVO NORDISK A/S (DK) 2011-02-01 US disclosed
US-7879893-B2 Zinc binding ligand; sustained release of insulin NOVO NORDISK A/S (DK) 2011-02-01 US disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 US disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 US disclosed
US-7482456-B2 antiasthmatic; antiinflammatory; minimal side effects; 8-(3-{2-(3-chlorophenyl)-4-[4-(methylsulfonyl)phenyl]-1,3-thiazol-5-yl}phenyl)-6-[1-methyl-1-(methylsulfonyl)ethyl]quinoline; 2-[5-(3-{6-[1-methyl-1-(methylsulfonyl)ethyl]quinolin-8-yl}phenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]propan-2-ol MERCK FROSST CANADA 2009-01-27 US disclosed
CN-100441185-C 8- (3-biaryl) phenylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2008-12-10 CN disclosed
EP-1585541-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-11-14 EP disclosed
EP-1429763-B1 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-05-30 EP disclosed
US-20060223850-A1 8-(3-Biaryl)phenylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA & CO. (CA) 2006-10-05 US disclosed
CN-1812787-A 8- (3-biaryl) phenylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2006-08-02 CN disclosed
EP-1635829-A1 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-03-22 EP disclosed
WO-2004096220-A1 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS MERCK FROSST CANADA LTD. (CA) 2004-11-11 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-20060223850-A1 8-(3-Biaryl)phenylquinoline phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE3B PBRM1 3676/4885ALDH1A1 408/4885MEN1 3189/4885
US-20180273573-A1 INHIBITORS OF MENAQUINONE BIOSYNTHESIS COASY, SDHA, VKORC1 PBRM1 1028/4885ALDH1A1 1209/4885MEN1 79/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB PBRM1 3110/4885ALDH1A1 4836/4885MEN1 912/4885

“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.