SCHEMBL3223903

SCHEMBL3223903

CCCn1c(=O)[nH]c(=O)c2c1nc(CC)n2CC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.55
ADORA2A P29274 5/20 0.55
PDE4B Q07343 5/20 0.55
PDE4C Q08493 5/20 0.55
PDE4D Q08499 5/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 3/20 0.51
CYP2C9 P11712 1/20 0.51
RXFP1 Q9HBX9 2/20 0.49
TPH1 P17752 2/20 0.49
TPH2 Q8IWU9 2/20 0.49
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
PAX8 Q06710 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 2/20 0.48

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
SCHEMBL3227594 0.87 PDE4A (0.55) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL3231032 0.82 PDE4A (0.50) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL19066314 0.81 MEN1 (0.65) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL19066322 0.81 RXFP1 (0.59) MEN1KMT2AHPGDRXFP1NPC1
SCHEMBL4445208 0.79 PDE4A (0.54) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL23255226 0.78 TSHR (0.56) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL4623661 0.75 MEN1 (0.52) MEN1KMT2ATPH1TPH2ALDH1A1
SCHEMBL3232066 0.75 PDE4A (0.52) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL19066312 0.74 ALDH1A1 (0.57) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL19066313 0.74 ALDH1A1 (0.57) PDE4AADORA2APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146996-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT AstraZeneca AB (SE) 2010-01-27 EP disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 WO disclosed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 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-20090023704-A1 Novel Compounds 737 GRPR, GABRB1, GABBR1 PDE4A 377/4885ADORA2A 183/4885PDE4B 326/4885

“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.