SCHEMBL966816

SCHEMBL966816

OCC(c1ccccc1)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
PKM P14618 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
IDO1 P14902 2/20 0.49
KDM4E B2RXH2 1/20 0.44
FFAR1 O14842 1/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTR1E P28566 1/20 0.42
S1PR3 Q99500 1/20 0.42

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
SCHEMBL7428096 0.98 MEN1 (0.55) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL25324799 0.90 FFAR1 (0.51) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL11854684 0.89 MEN1 (0.56) MEN1KMT2APKMCTDSP1KDM4E
SCHEMBL7194995 0.83 PKM (0.56) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL1697227 0.81 SLC6A2 (0.59)
SCHEMBL2716196 0.81 MEN1 (0.41) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL2085660 0.81 MEN1 (0.58) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL2465315 0.81 PKM (0.62) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL1005727 0.81 MEN1 (0.54) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL3121803 0.81 MEN1 (0.54) MEN1KMT2APKMCTDSP1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518954-B2 Inhibitors of folic acid-dependent enzymes STOICESCU DAN (CH) 2013-08-27 US disclosed
US-8247422-B2 Use of condensed pyrimidine derivatives for the treatment of rheumatoid arthritis STOICESCU DAN (CH) 2012-08-21 US disclosed
EP-2117552-B1 USE OF CONDENSED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES STOICESCU DAN (CH) 2011-08-03 EP disclosed
US-7875716-B2 Such as n-[4-[[2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]pseudoglutamic ester; synthesis; efficacy; reduced renal toxicity and other adverse side effects; cancer STOICESCU DAN 2011-01-25 US disclosed
US-20100249141-A1 NOVEL INHIBITORS OF FOLIC ACID-DEPENDENT ENZYMES STOICESCU DAN 2010-09-30 US disclosed
US-20100160329-A1 USE OF CONDENSED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES STOICESCU DAN 2010-06-24 US disclosed
US-7718660-B2 Inhibitors of folic acid-dependent enzymes STOICESCU DAN 2010-05-18 US disclosed
EP-2117552-A1 USE OF CONDENSED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES Stoicescu, Dan (CH) 2009-11-18 EP disclosed
US-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
WO-2007020277-A2 CONDENSED PYRIMIDINE DERIVATIVES AS INHIBITORS OF FOIC ACID-DEPENDENT ENZYMES STOICESCU DAN (CY) 2007-02-22 WO disclosed
EP-1754484-A1 Condensed pyrimidine derivatives as inhibitors of foic acid-dependent enzymes Stoicescu, Dan (CY) 2007-02-21 EP disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO disclosed
US-5643904-A Substituted hexahdryoazepinones and tetrahydrobenzazepinones PFIZER INC. (US) 1997-07-01 US disclosed
US-5484917-A FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS, PAIN AND ANXIETY PFIZER INC. (US) 1996-01-16 US disclosed
EP-0625145-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1994-11-23 EP disclosed
WO-1993015059-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO disclosed
CN-1074903-A The six hydrogen azepine  ketone and the tetrahydro benzo azepine  ketone that replace PFIZER (US) 1993-08-04 CN 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-20100160329-A1 USE OF CONDENSED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES CCR8, HRH4, CXCL8 MEN1 3908/4885KMT2A 2040/4885PKM 4669/4885
US-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA MEN1 4182/4885KMT2A 975/4885PKM 2302/4885
US-20100249141-A1 NOVEL INHIBITORS OF FOLIC ACID-DEPENDENT ENZYMES FOLR2, FOLR1, DHFR MEN1 2304/4885KMT2A 1697/4885PKM 4028/4885

“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.