SCHEMBL1333174

SCHEMBL1333174

CCN(CC)C(Cn1c(Cc2ccccc2)nc2c1c(=O)n(CCCN(C)C)c(=O)n2CCc1ccccc1N)N(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARN O95453 1/20 0.42
CNOT7 Q9UIV1 1/20 0.42
ADORA1 P30542 1/20 0.40
ADORA2A P29274 3/20 0.38
ADORA2B P29275 3/20 0.38
ADORA3 P0DMS8 1/20 0.37
TSHR P16473 6/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL1333186 0.90 CNOT7 (0.47) PARNCNOT7ADORA1ADORA2AADORA2B
SCHEMBL1334254 0.85 ADORA1 (0.41) PARNCNOT7ADORA1ADORA2AADORA2B
SCHEMBL1334712 0.84 ADORA1 (0.44) PARNCNOT7ADORA1ADORA2AADORA2B
SCHEMBL1334646 0.84 CNOT7 (0.44) PARNCNOT7ADORA1ADORA2AADORA2B
SCHEMBL1334710 0.82 PARN (0.38) PARNCNOT7ADORA1ADORA2AADORA2B
SCHEMBL1334451 0.80 ADORA1 (0.47) ADORA1ADORA2AADORA2BADORA3TSHR
SCHEMBL1332550 0.79 ADORA2B (0.43) ADORA1ADORA2AADORA2BTSHRLMNA
SCHEMBL1334372 0.77 ADORA1 (0.48) CNOT7ADORA1ADORA2AADORA2BADORA3
SCHEMBL4167641 0.76 ADORA1 (0.52) ADORA1ADORA2AADORA2BADORA3TSHR
SCHEMBL4171267 0.75 ADORA2B (0.49) ADORA1ADORA2AADORA2BADORA3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636229-A4 A1 ADENOSINE RECEPTOR ANTOGONISTS ENDACEA INC (US) 2008-07-30 EP claimed
EP-1636229-A2 A1 ADENOSINE RECEPTOR ANTOGONISTS Endacea, Inc. (US) 2006-03-22 EP claimed
US-20050187226-A1 A1 adenosine receptor antagonists ENDACEA, INC. 2005-08-25 US claimed
WO-2005009343-A2 A1 ADENOSINE RECEPTOR ANTOGONISTS ENDACEA, INC. (US) 2005-02-03 WO claimed
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 PARN 1467/4885CNOT7 2310/4885ADORA1 1/4885
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA3, ADORA2A PARN 2321/4885CNOT7 2240/4885ADORA1 1/4885
US-20050187226-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 PARN 2541/4885CNOT7 3449/4885ADORA1 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.