SCHEMBL1334722

SCHEMBL1334722

CCCn1c(=O)c2c(nc(Cc3ccnnc3)n2CCN(CC)CCO)n(CCc2ccc(N)cc2Cl)c1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.49
ADORA2B P29275 8/20 0.36
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA2A P29274 4/20 0.33
ADORA3 P0DMS8 3/20 0.32
TSHR P16473 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL5044751 0.95 ADORA1 (0.48) ADORA1ADORA2BALDH1A1KMT2ASMN1; SMN2
SCHEMBL1333023 0.88 ADORA1 (0.50) ADORA1ADORA2BALDH1A1KMT2ASMN1; SMN2
SCHEMBL1333466 0.84 ADORA1 (0.47) ADORA1ADORA2BALDH1A1KMT2ASMN1; SMN2
SCHEMBL1334721 0.82 ADORA2B (0.35) ADORA1ADORA2BALDH1A1KMT2ASMN1; SMN2
SCHEMBL5653181 0.81 ADORA1 (0.41) ADORA1ADORA2BALDH1A1KMT2ASMN1; SMN2
SCHEMBL1333424 0.80 ADORA1 (0.51) ADORA1ADORA2BADORA2AADORA3TSHR
SCHEMBL4176173 0.80 ADORA1 (0.62) ADORA1ADORA2BKMT2AADORA2AADORA3
SCHEMBL1334330 0.80 ADORA1 (0.44) ADORA1ADORA2BALDH1A1KMT2ASMN1; SMN2
SCHEMBL1333191 0.80 ADORA1 (0.62) ADORA1ADORA2BALDH1A1ADORA2AADORA3
SCHEMBL4182302 0.79 ADORA1 (0.59) ADORA1ADORA2BKMT2AADORA2AADORA3

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 7 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
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
US-20050187226-A1 A1 adenosine receptor antagonists ENDACEA, INC. 2005-08-25 US 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 4/4885ALDH1A1 300/4885
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA3, ADORA2A ADORA1 1/4885ADORA2B 4/4885ALDH1A1 156/4885
US-20050187226-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2B 4/4885ALDH1A1 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.