SCHEMBL4769449

SCHEMBL4769449

Cc1cc(=O)n(Cc2ccoc2)c(=O)n1Cc1ccoc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.38
PARG Q86W56 1/20 0.37
HPGD P15428 2/20 0.37
LOXL2 Q9Y4K0 2/20 0.36
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
ATM Q13315 1/20 0.33
C5AR1 P21730 1/20 0.33
FBP1 P09467 1/20 0.32
HSD17B13 Q7Z5P4 1/20 0.32
GRIA2 P42262 1/20 0.32
MAPT P10636 1/20 0.32
NOTUM Q6P988 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
SCHEMBL7835720 0.77 KMT2A (0.69) KMT2ALMNAHPGDKDM4EALDH1A1
SCHEMBL4765196 0.76 KMT2A (0.42) KMT2AHPGDPOLBKDM4EALDH1A1
SCHEMBL9392329 0.75 PARG (0.37) PARGHPGDPOLBKDM4EALDH1A1
SCHEMBL4766008 0.74 KMT2A (0.54) KMT2AHPGDLOXL2KDM4EMAPK1
SCHEMBL8175742 0.73 HPGD (0.45) KMT2AHPGDPOLBKDM4EALDH1A1
SCHEMBL4483468 0.70 L3MBTL1 (0.60) KMT2ALMNAPOLBSMN1; SMN2MEN1
SCHEMBL4767339 0.69 HSPD1 (0.40) KMT2ALMNAPARGHPGDPOLB
SCHEMBL7830685 0.66 KMT2A (0.58) KMT2ALMNAHPGDKDM4EALDH1A1
SCHEMBL7831973 0.66 KMT2A (0.55) KMT2ALMNAHPGDKDM4EALDH1A1
SCHEMBL4770813 0.66 L3MBTL1 (0.61) KMT2ALMNAHPGDPOLBKDM4E

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
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 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 (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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 KMT2A 1806/4885LMNA 4664/4885PARG 2467/4885

“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.