SCHEMBL5452618

SCHEMBL5452618

CCCCCNc1c(N)[nH]c(=O)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 10/20 0.53
KDM4E B2RXH2 6/20 0.49
GAA P10253 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
TYMP P19971 3/20 0.40

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
SCHEMBL9254063 0.77 GPR84 (0.65) GPR84KDM4EGAAMEN1KMT2A
SCHEMBL5996030 0.69 GRIN2D (0.58) GPR84KDM4EGAAMEN1KMT2A
SCHEMBL24937838 0.68 GRIN2D (0.56) GPR84KDM4EGAAMEN1KMT2A
SCHEMBL18175194 0.68 TYMP (0.41) GAATYMP
SCHEMBL4128821 0.67 XDH (0.56) GPR84GAA
SCHEMBL9667342 0.67 XDH (0.49) GPR84KDM4EGAAMEN1KMT2A
SCHEMBL24807518 0.66 ALDH1A1 (0.42) GPR84KDM4EALDH1A1LMNA
SCHEMBL21477772 0.66 GPR84 (0.39) GPR84KDM4EGAAMEN1KMT2A
SCHEMBL31506926 0.66 KDM4E (0.54) GPR84KDM4EMEN1KMT2ALMNA
SCHEMBL21842722 0.66 GRIN2D (0.41) GPR84KDM4EGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9040652-A None JP disclosed
US-7253176-B1 Immunosuppressive effects of 8-substituted xanthine derivatives K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2007-08-07 US disclosed
JP-2006265266-A METHOD FOR PRODUCING URACIL DERIVATIVE KYOWA HAKKO KOGYO CO LTD 2006-10-05 JP disclosed
EP-0956855-B1 Immunosuppressive effects of 8 substituted xanthine derivatives LEUVEN K U RES & DEV (BE) 2003-03-12 EP disclosed
EP-0956855-A1 Immunosuppressive effects of 8-substituted xanthine derivatives K.U. Leuven Research & Development (BE) 1999-11-17 EP disclosed
US-5719279-A CHOLINOMIMETICS BOEHRINGER INGELHEIM KG (DE) 1998-02-17 US disclosed
JP-H0940652-A PRODUCTION OF URACIL DERIVATIVE KYOWA HAKKO KOGYO CO LTD 1997-02-10 JP disclosed
US-5453426-A Sulfur-containing xanthine derivatives as adenosine antagonists THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-09-26 US disclosed
EP-0654033-A1 ASYMMETRICALLY SUBSTITUTED XANTHINE WITH ADENOSINE-ANTAGONISTIC PROPERTIES BOEHRINGER INGELHEIM KG (DE) 1995-05-24 EP disclosed
WO-1994003456-A1 ASYMMETRICALLY SUBSTITUTED XANTHINE WITH ADENOSINE-ANTAGONISTIC PROPERTIES BOEHRINGER INGELHEIM KG (DE) 1994-02-17 WO disclosed
WO-1990012797-A1 SULFER-CONTAINING XANTHINE DERIVATIVES AS ADENOSIN ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) 1990-11-01 WO disclosed
US-4769377-A Adenosine receptor antagonists THE JOHNS HOPKINS UNIVERSITY (US) 1988-09-06 US disclosed
US-4593095-A ADENOSINE RECEPTOR ANTAGONISTS THE JOHNS HOPKINS UNIVERSITY (US) 1986-06-03 US disclosed