SCHEMBL1334384

SCHEMBL1334384

CCCn1c(=O)c2c(nc(Cc3cccc(Cl)c3)n2CCNCC(O)CC)n(CCc2ccc(N)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.41
ADORA1 P30542 2/20 0.39
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
ADORA2B P29275 5/20 0.38
ADORA2A P29274 3/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL1333187 0.91 ADORA3 (0.43) ADORA3ADORA1USP2TSHRADORA2B
SCHEMBL1332404 0.91 ADORA2B (0.44) ADORA3ADORA1TSHRADORA2BADORA2A
SCHEMBL4176171 0.90 ADORA1 (0.41) ADORA3ADORA1TSHRADORA2BADORA2A
Hydrochloric Acid SCHEMBL1332577 0.90 ADORA2B (0.43) ADORA3ADORA1TSHRADORA2BADORA2A
SCHEMBL1333473 0.89 SMN1; SMN2 (0.41) ADORA3ADORA1TSHRADORA2BADORA2A
SCHEMBL1332529 0.88 ADORA1 (0.42) ADORA3ADORA1TSHRADORA2BADORA2A
SCHEMBL1333189 0.87 ADORA3 (0.40) ADORA3ADORA1TSHRADORA2BADORA2A
SCHEMBL1334668 0.86 ADORA1 (0.42) ADORA3ADORA1TSHRADORA2BADORA2A
SCHEMBL1333494 0.86 ADORA2B (0.42) ADORA3ADORA1TSHRADORA2BADORA2A
SCHEMBL1333085 0.86 ADORA1 (0.41) ADORA3ADORA1TSHRADORA2BADORA2A

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 ADORA3 2/4885ADORA1 1/4885USP2 3592/4885
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA3, ADORA2A ADORA3 2/4885ADORA1 1/4885USP2 3746/4885
US-20050187226-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 ADORA3 3/4885ADORA1 1/4885USP2 3421/4885

“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.