SCHEMBL1333451

SCHEMBL1333451

CCCn1c(=O)c2c(nc(Cc3ncno3)n2CCNCC(O)CC)n(CCc2cccc([N+](=O)[O-])c2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
ADORA2B P29275 4/20 0.34
ADORA3 P0DMS8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CFTR P13569 1/20 0.33
ADORA2A P29274 2/20 0.33
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL1334265 0.89 ADORA1 (0.34) SMN1; SMN2ADORA2BADORA3ADORA2ATSHR
SCHEMBL1333052 0.89 KMT2A (0.41) L3MBTL1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL1334976 0.88 L3MBTL1 (0.36) L3MBTL1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL1334329 0.85 L3MBTL1 (0.38) L3MBTL1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL1332484 0.85 ADORA2B (0.43) SMN1; SMN2ADORA2BADORA3ADORA2ATSHR
SCHEMBL1333453 0.83 ADORA1 (0.44) L3MBTL1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL1333165 0.82 ADORA2B (0.41) KMT2ASMN1; SMN2ADORA2BADORA3ADORA2A
SCHEMBL1333155 0.79 KMT2A (0.44) L3MBTL1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL1333502 0.79 ADORA3 (0.38) L3MBTL1SMN1; SMN2MAPTADORA2BADORA3
SCHEMBL1333212 0.79 ADORA2B (0.44) L3MBTL1SMN1; SMN2ADORA2BALDH1A1ADORA2A

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 L3MBTL1 3587/4885KMT2A 2579/4885MEN1 711/4885
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA3, ADORA2A L3MBTL1 992/4885KMT2A 2755/4885MEN1 1077/4885
US-20050187226-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 L3MBTL1 2633/4885KMT2A 2329/4885MEN1 1208/4885

“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.