SCHEMBL1334494

SCHEMBL1334494

CCCn1c(=O)c2c(nc(Cc3ccccc3)n2CC(N(CC)CC)N(CC)CC)n(CCc2cccc([N+](=O)[O-])c2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ADORA2B P29275 3/20 0.43
ADORA2A P29274 3/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CFTR P13569 1/20 0.40
ADORA3 P0DMS8 4/20 0.39
ADORA1 P30542 3/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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 0.92 ADORA2B (0.44) KMT2AADORA2BADORA2AADORA3ADORA1
SCHEMBL1332430 0.91 L3MBTL1 (0.40) KMT2AMEN1ADORA2BADORA2AMAPT
SCHEMBL1333235 0.85 ADORA2B (0.41) KMT2AMEN1ADORA2BADORA2AMAPT
SCHEMBL1333155 0.84 KMT2A (0.44) KMT2AMEN1ADORA2BADORA2AMAPT
SCHEMBL1334465 0.84 ADORA3 (0.40) KMT2AADORA2BADORA2AMAPTL3MBTL1
SCHEMBL1334646 0.84 CNOT7 (0.44) KMT2AMEN1ADORA2BADORA2AADORA3
SCHEMBL1333054 0.84 ADORA1 (0.47) KMT2AMEN1ADORA2BADORA2AMAPT
SCHEMBL1334451 0.83 ADORA1 (0.47) KMT2AADORA2BADORA2AADORA3ADORA1
SCHEMBL1333052 0.81 KMT2A (0.41) KMT2AMEN1ADORA2BADORA2AMAPT
SCHEMBL1334834 0.80 ADORA3 (0.44) ADORA2BADORA2AADORA3ADORA1LMNA

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
EP-1636229-A4 A1 ADENOSINE RECEPTOR ANTOGONISTS ENDACEA INC (US) 2008-07-30 EP claimed
US-7247639-B2 A1 adenosine receptor antagonists ENDACEA, INC. (US) 2007-07-24 US 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 KMT2A 2579/4885MEN1 711/4885ADORA2B 4/4885
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA3, ADORA2A KMT2A 2755/4885MEN1 1077/4885ADORA2B 4/4885
US-20050187226-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 KMT2A 2329/4885MEN1 1208/4885ADORA2B 4/4885

“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.