SCHEMBL1333022

SCHEMBL1333022

CCCn1c(=O)c2c(nc(Cc3ccnnc3)n2CCNCC(O)CC)n(CCc2ccc(N)c(Cl)c2)c1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.33
ADORA2A P29274 4/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA1 P30542 1/20 0.32
ADORA3 P0DMS8 2/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL1334721 0.88 ADORA2B (0.35) ADORA2BADORA2AALDH1A1KMT2ASMN1; SMN2
SCHEMBL1334329 0.85 L3MBTL1 (0.38) ADORA2BADORA2AALDH1A1KMT2ASMN1; SMN2
SCHEMBL1333464 0.85 TSHR (0.36) ADORA2BADORA2AALDH1A1KMT2ASMN1; SMN2
SCHEMBL1333023 0.82 ADORA1 (0.50) ADORA2BADORA2AALDH1A1KMT2ASMN1; SMN2
SCHEMBL1334316 0.82 ADORA3 (0.39) ADORA2BADORA2AALDH1A1SMN1; SMN2TSHR
SCHEMBL1333189 0.81 ADORA3 (0.40) ADORA2BADORA2AKMT2ASMN1; SMN2TSHR
SCHEMBL4176171 0.80 ADORA1 (0.41) ADORA2BADORA2AKMT2ASMN1; SMN2TSHR
SCHEMBL1334384 0.80 ADORA3 (0.41) ADORA2BADORA2AALDH1A1SMN1; SMN2TSHR
SCHEMBL1333494 0.80 ADORA2B (0.42) ADORA2BADORA2ASMN1; SMN2TSHRADORA1
SCHEMBL1333187 0.80 ADORA3 (0.43) ADORA2BADORA2AALDH1A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247639-B2 A1 adenosine receptor antagonists ENDACEA, INC. (US) 2007-07-24 US claimed
US-20050187226-A1 A1 adenosine receptor antagonists ENDACEA, INC. 2005-08-25 US 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 ADORA2B 4/4885ADORA2A 3/4885ALDH1A1 300/4885
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA3, ADORA2A ADORA2B 4/4885ADORA2A 3/4885ALDH1A1 156/4885
US-20050187226-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 ADORA2B 4/4885ADORA2A 2/4885ALDH1A1 342/4885

“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.