Sugi Predict

Sugi Predict / Compounds / SCHEMBL1334709

SCHEMBL1334709

SCHEMBL1334709

CCCn1c(=O)c2c(nc(Cc3nnn[nH]3)n2CC(N(CC)CC)N(CC)CC)n(CCc2ccc([N+](=O)[O-])cc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 7/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PDE5A O76074 2/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ ADORA1 P30542 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ADORA3 P0DMS8 3/20 0.33
▸ KMT2A Q03164 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
SCHEMBL1333278 0.89 ADORA1 (0.43) ADORA2BADORA2AADORA1ADORA3KMT2A
SCHEMBL1334837 0.86 ADORA2B (0.44) ADORA2BADORA2AADORA1SMN1; SMN2ADORA3
SCHEMBL1334703 0.85 ADORA2B (0.37) ADORA2BADORA2ACYP3A4PDE5APDE4A
SCHEMBL1332483 0.85 ADORA1 (0.48) ADORA2BADORA2ACYP3A4PDE5APDE4A
SCHEMBL1334465 0.83 ADORA3 (0.40) ADORA2BADORA2APDE5APDE4APDE4B
SCHEMBL1332477 0.82 ADORA2B (0.35) ADORA2BADORA2ACYP3A4PDE5APDE4A
SCHEMBL1334494 0.79 KMT2A (0.45) ADORA2BADORA2AADORA1ADORA3KMT2A
SCHEMBL1334646 0.78 CNOT7 (0.44) ADORA2BADORA2AADORA1ADORA3KMT2A
SCHEMBL1333237 0.78 CYP3A4 (0.50) ADORA2BADORA2ACYP3A4ADORA1ADORA3
SCHEMBL1333235 0.78 ADORA2B (0.41) ADORA2BADORA2AADORA1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ADORA2B 4/4885ADORA2A 3/4885CYP3A4 1664/4885
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA3, ADORA2A ADORA2B 4/4885ADORA2A 3/4885CYP3A4 1092/4885
US-20050187226-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 ADORA2B 4/4885ADORA2A 2/4885CYP3A4 1354/4885

“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.