SCHEMBL1334537

SCHEMBL1334537

CCCn1c(=O)c2c(nc(Cc3ccccc3)n2CC(N(CC)CC)N(CC)CC)n(CCc2ccc(NC(=O)CCC(=O)O)cc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.42
MAPT P10636 6/20 0.41
ADORA2A P29274 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
TP53 P04637 1/20 0.39
ADORA1 P30542 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL1333024 0.91 TLR7 (0.42) ADORA2BMAPTADORA2AADORA3TP53
SCHEMBL1332451 0.91 TLR7 (0.43) ADORA2BMAPTADORA2AADORA3TP53
SCHEMBL4171985 0.85 ADORA2B (0.43) ADORA2BMAPTADORA2AADORA3TP53
SCHEMBL4171967 0.85 ADORA1 (0.49) ADORA2BMAPTADORA2AADORA3TP53
SCHEMBL1334451 0.84 ADORA1 (0.47) ADORA2BADORA2AADORA3ADORA1
SCHEMBL1333808 0.83 MAPT (0.36) ADORA2BMAPTADORA2AADORA3TP53
SCHEMBL4171960 0.83 ADORA2B (0.40) ADORA2BMAPTADORA2AADORA3TP53
SCHEMBL1334837 0.81 ADORA2B (0.44) ADORA2BADORA2AADORA3ADORA1
SCHEMBL1334834 0.79 ADORA3 (0.44) ADORA2BADORA2AADORA3ADORA1POLB
SCHEMBL4167581 0.78 ADORA1 (0.44) ADORA2BMAPTADORA2ATP53ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110282031-A1 A1 ADENOSINE RECEPTOR DIAGNOSTIC PROBES WILSON CONSTANCE N (US) 2011-11-17 US disclosed
US-7902360-B2 e.g. 3-[2-(4-aminophenyl)ethyl]-8-benzyl-7-(2-ethylamino)ethyl-1-propylxanthine; A1-adenosine receptor antagonist; antiallergen, antiinflammatory agent; AIDS and immune deficiency disorders, asthma; good water solubility WILSON CONSTANCE N 2011-03-08 US disclosed
EP-1636229-A4 A1 ADENOSINE RECEPTOR ANTOGONISTS ENDACEA INC (US) 2008-07-30 EP disclosed
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2007-12-06 US disclosed
US-7247639-B2 A1 adenosine receptor antagonists ENDACEA, INC. (US) 2007-07-24 US disclosed
EP-1636229-A2 A1 ADENOSINE RECEPTOR ANTOGONISTS Endacea, Inc. (US) 2006-03-22 EP disclosed
US-20050187226-A1 A1 adenosine receptor antagonists ENDACEA, INC. 2005-08-25 US disclosed
WO-2005009343-A2 A1 ADENOSINE RECEPTOR ANTOGONISTS ENDACEA, INC. (US) 2005-02-03 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-20110282031-A1 A1 ADENOSINE RECEPTOR DIAGNOSTIC PROBES ADORA1, ADORA3, ADORA2A ADORA2B 4/4885MAPT 4267/4885ADORA2A 3/4885
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA3, ADORA2A ADORA2B 4/4885MAPT 4363/4885ADORA2A 3/4885
US-20050187226-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 ADORA2B 4/4885MAPT 3547/4885ADORA2A 2/4885

“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.