SCHEMBL1353259

SCHEMBL1353259

Cn1nc(-c2cnc3ccc(F)cn23)c2ccc(C(=O)N(CC3CCCCC3)C3CC3)cc21

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.64
HSD11B1 P28845 1/20 0.36
SLC6A9 P48067 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL12133213 0.97 ADORA2A (0.64) ADORA2AHSD11B1SLC6A9SLC6A5
SCHEMBL1355638 0.79 ADORA2A (0.73) ADORA2AHSD11B1
SCHEMBL1353175 0.79 ADORA2A (0.64) ADORA2A
SCHEMBL1355537 0.78 ADORA2A (0.74) ADORA2A
SCHEMBL1355331 0.78 ADORA2A (1.00) ADORA2A
SCHEMBL1355307 0.78 ADORA2A (1.00) ADORA2A
SCHEMBL1354665 0.78 ADORA2A (1.00) ADORA2A
SCHEMBL1355414 0.78 ADORA2A (1.00) ADORA2A
SCHEMBL1353258 0.78 ADORA2A (0.66) ADORA2A
SCHEMBL1353250 0.77 ADORA2A (0.64) ADORA2A

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-9029393-B2 Adenosine receptor ligands and uses thereof KALDI PHARMA, SAS (FR) 2015-05-12 US claimed
US-9029393-B2 Adenosine receptor ligands and uses thereof KALDI PHARMA, SAS (FR) 2015-05-12 US disclosed
EP-2391625-B1 New adenosine receptor ligands and uses thereof DOMAIN THERAPEUTICS (FR) 2013-05-01 EP disclosed
US-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2011-11-24 US disclosed
EP-2210891-A1 New adenosine receptor ligands and uses thereof Domain Therapeutics (FR) 2010-07-28 EP 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 (1 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-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF ADORA2A, ADORA1, ADORA2B ADORA2A 1/4885HSD11B1 2224/4885SLC6A9 2819/4885

“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.