SCHEMBL4182286

SCHEMBL4182286

CCCn1c(=O)c2c(nc(Cc3ccccc3)n2CCNCC)n(CCc2cccc(NC(=O)CCCCCN)c2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 1/20 0.39
ADORA2B P29275 4/20 0.39
ADORA2A P29274 1/20 0.39
TLR7 Q9NYK1 4/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.37
ADORA1 P30542 3/20 0.37

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
SCHEMBL4174562 0.93 TLR7 (0.44) MAPTTP53TSHRADORA2BADORA2A
SCHEMBL4182201 0.93 MAPT (0.38) MAPTTP53TSHRADORA2BADORA2A
SCHEMBL4186030 0.91 ADORA2A (0.36) MAPTTP53TSHRADORA2BADORA2A
SCHEMBL5835532 0.91 MAPT (0.42) MAPTTP53TSHRADORA2BADORA2A
SCHEMBL4169858 0.90 ADORA2A (0.37) MAPTTP53TSHRADORA2BADORA2A
SCHEMBL4312584 0.89 TSHR (0.42) MAPTTP53TSHRADORA2BADORA2A
SCHEMBL4182204 0.87 ADORA1 (0.43) MAPTTP53TSHRADORA2BADORA2A
SCHEMBL4165166 0.86 TLR7 (0.42) MAPTTP53TSHRADORA2BADORA2A
SCHEMBL1333412 0.85 TLR7 (0.41) MAPTTP53TSHRADORA2BADORA2A
SCHEMBL4186574 0.85 ADORA2A (0.35) MAPTTP53TSHRADORA2BADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090068101-A9 A1 Adenosine Receptor Antagonists ENDACEA, INC. (US) 2009-03-12 US disclosed
US-20070274910-A1 e.g. 3-[2-(2-Aminophenyl)ethyl]-8-benzyl-7-(2-methylamino)ethyl-1-propylxanthine; A1-adenosine receptor antagonist; antiallergen, antiinflammatory agent; AIDS and immune deficiency disorders, asthma; good water solubility ENDACEA, INC. (US) 2007-11-29 US disclosed
EP-1636230-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS Endacea, Inc. (US) 2006-03-22 EP disclosed
WO-2004110379-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2004-12-23 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 (2 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-20070274910-A1 e.g. 3-[2-(2-Aminophenyl)ethyl]-8-benzyl-7-(2-methylamino)ethyl-1-propylxanthine; A1-adenosine receptor antagonist; antiallergen, antiinflammatory agent; AIDS and immune deficiency disorders, asthma; good water solubility HRH3, HRH1, HRH2 MAPT 4646/4885TP53 3667/4885TSHR 1275/4885
US-20090068101-A9 A1 Adenosine Receptor Antagonists ADORA1, ADORA3, ADORA2A MAPT 4543/4885TP53 3069/4885TSHR 197/4885

“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.