SCHEMBL5006819

SCHEMBL5006819

CCCC#Cc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.42
MAPT P10636 1/20 0.40
ADORA3 P0DMS8 6/20 0.39
ADORA2B P29275 4/20 0.38
ACHE P22303 1/20 0.33
GDA Q9Y2T3 1/20 0.33
ADORA2A P29274 4/20 0.32
ADORA1 P30542 3/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HCAR2 Q8TDS4 1/20 0.30
ENPP1 P22413 1/20 0.30

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
SCHEMBL2539449 0.72 MAPT (0.48) XDHMAPTADORA3ADORA2BACHE
SCHEMBL1150739 0.69 XDH (0.47) XDHMAPTADORA3ADORA2BACHE
SCHEMBL380136 0.68 MAPT (0.48) XDHMAPTADORA3ADORA2BACHE
SCHEMBL6233162 0.67 XDH (0.51) XDHMAPTADORA2BALDH1A1MAPK1
SCHEMBL28232233 0.66 MAPT (0.42) XDHMAPTADORA2BACHEGDA
SCHEMBL3118423 0.66 XDH (0.54) XDHMAPTADORA2BHCAR2
SCHEMBL10997 0.65 MAPT (0.53) XDHMAPTADORA3ADORA2BACHE
SCHEMBL932949 0.65 MAPT (0.53) XDHMAPTADORA2BACHEGDA
SCHEMBL11661802 0.65 XDH (0.56) XDHMAPTHCAR2
SCHEMBL4128821 0.64 XDH (0.56) XDHMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4288433-A THIOETHER AND A XANTHINE DERIVATIVE L'OREAL (FR) 1981-09-08 US claimed
EP-1497444-B1 METHODS FOR INCREASING POLYPEPTIDE PRODUCTION IMMUNEX CORP (US) 2015-11-04 EP disclosed
US-7452695-B2 Methods for increasing polypeptide production IMMUNEX CORPORATION (US) 2008-11-18 US disclosed
US-20050233415-A1 From mammal cells transformed with cytomegalovirus vector using xanthine derivatives (caffeine and/or theobromine) and/or hexamethylene bisacetamide; serum-free IMMUNEX CORPORATION (US) 2005-10-20 US disclosed
US-6872549-B2 Methods for increasing polypeptide production IMMUNEX CORPORATION (US) 2005-03-29 US disclosed
US-20030211579-A1 Methods for increasing polypeptide production IMMUNEX CORPORATION 2003-11-13 US disclosed
US-4288433-A THIOETHER AND A XANTHINE DERIVATIVE L'OREAL (FR) 1981-09-08 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 (1 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-20030211579-A1 Methods for increasing polypeptide production IAPP, NPEPPS, ANPEP XDH 115/4885MAPT 2943/4885ADORA3 1025/4885

“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.