SCHEMBL1353059

SCHEMBL1353059

CCOC(=O)c1ccc(C(=O)c2cnc3ccc(Br)cn23)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.46
PSD A5PKW4 1/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
TGFBR1 P36897 2/20 0.41
PIK3CA P42336 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
MTOR P42345 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
IDO1 P14902 1/20 0.37
SIRT2 Q8IXJ6 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
SCHEMBL1355427 0.90 ADORA2A (0.51) ADORA2AKDM4EGLAGAAMEN1
SCHEMBL1355310 0.86 KDM4E (0.41) ADORA2AKDM4EGLAGAATGFBR1
SCHEMBL1355611 0.84 ADORA2A (0.45) ADORA2AKDM4ENPC1RAB9ATGFBR1
SCHEMBL1649636 0.80 TGFBR1 (0.54) ADORA2APSDKDM4EGLAGAA
SCHEMBL3850106 0.78 NPC1 (0.53) PSDKDM4EGLAGAAMEN1
SCHEMBL1354587 0.78 ADORA2A (0.67) ADORA2AGAAALDH1A1HPGDMAPT
SCHEMBL1355297 0.78 ADORA2A (0.67) ADORA2AGAAALDH1A1HPGDMAPT
SCHEMBL1355452 0.77 ADORA2A (0.55) ADORA2APIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1355357 0.76 ADORA2A (0.49) ADORA2ATGFBR1MAPK14
SCHEMBL12134357 0.74 ADORA2A (0.43) ADORA2ATGFBR1PIK3CAMTORMAPK14

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 3 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 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 1/4885PSD 1744/4885KDM4E 4203/4885

“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.