SCHEMBL1355131

SCHEMBL1355131

O=C(NCCC1CCCCC1)c1ccc2c(-c3cnc4ccc(F)cn34)noc2c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.64
KIT P10721 2/20 0.40
MAPK14 Q16539 2/20 0.40
HTR2A P28223 8/20 0.40
DRD3 P35462 8/20 0.40
LCK P06239 1/20 0.39
SRC P12931 1/20 0.39
LDLR P01130 1/20 0.37
NAMPT P43490 1/20 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
SCHEMBL3709235 0.79 ADORA2A (0.74) ADORA2AKIT
SCHEMBL1353303 0.79 ADORA2A (1.00) ADORA2A
SCHEMBL1353170 0.69 ADORA2A (0.64) ADORA2AKITMAPK14LCKSRC
SCHEMBL1356303 0.68 ADORA2A (0.80) ADORA2A
SCHEMBL1356309 0.68 ADORA2A (0.80) ADORA2A
SCHEMBL1354788 0.68 ADORA2A (0.58) ADORA2A
SCHEMBL1355585 0.67 ADORA2A (0.56) ADORA2AKITMAPK14LCKSRC
SCHEMBL12133246 0.66 ADORA2A (0.85) ADORA2A
SCHEMBL1355354 0.66 ADORA2A (0.76) ADORA2A
SCHEMBL1353128 0.66 ADORA2A (0.56) ADORA2AKIT

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 1/4885KIT 3525/4885MAPK14 3670/4885

“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.