SCHEMBL1334646

SCHEMBL1334646

CCN(CC)C(Cn1c(Cc2ccccc2)nc2c1c(=O)n(CCCN(C)C)c(=O)n2CCc1ccc([N+](=O)[O-])cc1)N(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 2/20 0.44
PARN O95453 1/20 0.44
ADORA1 P30542 1/20 0.41
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ADORA3 P0DMS8 1/20 0.35

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) ADORA1TSHRALDH1A1NPSR1ADORA2A
SCHEMBL1333235 0.90 ADORA2B (0.41) ADORA1TSHRALDH1A1NPSR1ADORA2A
SCHEMBL1333186 0.89 CNOT7 (0.47) CNOT7PARNADORA1TSHRALDH1A1
SCHEMBL1334500 0.85 PARN (0.41) CNOT7PARNADORA1TSHRALDH1A1
SCHEMBL1334672 0.85 ADORA1 (0.44) CNOT7PARNADORA1TSHRALDH1A1
SCHEMBL1334494 0.84 KMT2A (0.45) ADORA1TSHRNPSR1ADORA2AADORA2B
SCHEMBL1333174 0.84 PARN (0.42) CNOT7PARNADORA1TSHRALDH1A1
SCHEMBL1334465 0.83 ADORA3 (0.40) ADORA1ADORA2AADORA2BKMT2AADORA3
SCHEMBL1334669 0.83 PARN (0.40) CNOT7PARNADORA1TSHRALDH1A1
SCHEMBL1334451 0.80 ADORA1 (0.47) ADORA1TSHRNPSR1ADORA2AADORA2B

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 CNOT7 2310/4885PARN 1467/4885ADORA1 1/4885
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA3, ADORA2A CNOT7 2240/4885PARN 2321/4885ADORA1 1/4885
US-20050187226-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 CNOT7 3449/4885PARN 2541/4885ADORA1 1/4885

“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.