SCHEMBL1334465

SCHEMBL1334465

CCCn1c(=O)c2c(nc(Cc3cccnc3)n2CC(N(CC)CC)N(CC)CC)n(CCc2ccc([N+](=O)[O-])cc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.40
ADORA2B P29275 3/20 0.36
ADORA2A P29274 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ADORA1 P30542 1/20 0.35
KMT2A Q03164 2/20 0.34
PDE5A O76074 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CYP19A1 P11511 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL1334837 0.91 ADORA2B (0.44) ADORA3ADORA2BADORA2ASMN1; SMN2ADORA1
SCHEMBL1333167 0.89 ADORA1 (0.44) ADORA3ADORA2BADORA2AADORA1KMT2A
SCHEMBL1332430 0.84 L3MBTL1 (0.40) ADORA3ADORA2BADORA2ASMN1; SMN2MAPT
SCHEMBL1333504 0.84 ADORA1 (0.49) ADORA3ADORA2BADORA2ASMN1; SMN2MAPT
SCHEMBL1334494 0.84 KMT2A (0.45) ADORA3ADORA2BADORA2AMAPTL3MBTL1
SCHEMBL1334646 0.83 CNOT7 (0.44) ADORA3ADORA2BADORA2AADORA1KMT2A
SCHEMBL1334709 0.83 ADORA2B (0.35) ADORA3ADORA2BADORA2ASMN1; SMN2ADORA1
SCHEMBL1333235 0.83 ADORA2B (0.41) ADORA2BADORA2ASMN1; SMN2MAPTADORA1
SCHEMBL1333502 0.82 ADORA3 (0.38) ADORA3ADORA2BADORA2ASMN1; SMN2MAPT
SCHEMBL1334451 0.80 ADORA1 (0.47) ADORA3ADORA2BADORA2AADORA1KMT2A

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 ADORA3 2/4885ADORA2B 4/4885ADORA2A 3/4885
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA3, ADORA2A ADORA3 2/4885ADORA2B 4/4885ADORA2A 3/4885
US-20050187226-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 ADORA3 3/4885ADORA2B 4/4885ADORA2A 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.