SCHEMBL1333449

SCHEMBL1333449

CCCn1c(=O)c2c(nc(Cc3ccncc3)n2CCN(CC)CCO)n(CCc2ccccc2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.53
ADORA2B P29275 3/20 0.45
ADORA2A P29274 3/20 0.45
TSHR P16473 4/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADORA3 P0DMS8 4/20 0.43
ALDH1A1 P00352 1/20 0.42
JAK2 O60674 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1334308 0.96 ADORA1 (0.57) ADORA1ADORA2BADORA2ATSHRLMNA
SCHEMBL1334317 0.92 ADORA1 (0.54) ADORA1ADORA2BADORA2ATSHRLMNA
SCHEMBL1334314 0.92 ADORA1 (0.54) ADORA1ADORA2BADORA2ATSHRLMNA
SCHEMBL1332408 0.91 ADORA1 (0.66) ADORA1ADORA2BADORA2ATSHRLMNA
Hydrochloric Acid SCHEMBL1332578 0.90 ADORA1 (0.65) ADORA1ADORA2BADORA2ATSHRLMNA
SCHEMBL1334833 0.90 ADORA1 (0.53) ADORA1ADORA2BADORA2ATSHRLMNA
SCHEMBL1332497 0.89 ADORA1 (0.55) ADORA1ADORA2BADORA2ATSHRLMNA
SCHEMBL1333496 0.88 ADORA1 (0.56) ADORA1ADORA2BADORA2ATSHRLMNA
SCHEMBL1333475 0.88 ADORA1 (0.58) ADORA1ADORA2BADORA2ATSHRLMNA
SCHEMBL1333168 0.88 ADORA1 (0.52) ADORA1ADORA2BADORA2ATSHRLMNA

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 ADORA1 1/4885ADORA2B 4/4885ADORA2A 3/4885
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA3, ADORA2A ADORA1 1/4885ADORA2B 4/4885ADORA2A 3/4885
US-20050187226-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2B 4/4885ADORA2A 2/4885

“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.