SCHEMBL3232467

SCHEMBL3232467

CCCn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc(C1CCCCC1)n2C

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.73
ADORA2B P29275 4/20 0.73
KMT2A Q03164 1/20 0.55
LMNA P02545 3/20 0.54
MAPT P10636 2/20 0.54
ADORA3 P0DMS8 4/20 0.54
ADORA1 P30542 2/20 0.49
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ADRB2 P07550 1/20 0.45
STAT6 P42226 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL3229056 0.99 ADORA2A (0.73) ADORA2AADORA2BKMT2ALMNAMAPT
SCHEMBL3235950 0.97 ADORA2A (0.69) ADORA2AADORA2BKMT2ALMNAMAPT
SCHEMBL3231972 0.86 ADORA2A (0.54) ADORA2AADORA2BLMNAMAPTADORA3
SCHEMBL5453936 0.85 ADORA2A (1.00) ADORA2AADORA2BKMT2ALMNAADORA3
SCHEMBL5935758 0.84 ADORA2A (1.00) ADORA2AADORA2BKMT2ALMNAADORA3
SCHEMBL8576289 0.82 ADORA3 (0.56) ADORA2AADORA2BKMT2AADORA3ADORA1
SCHEMBL3233890 0.82 LMNA (0.80) LMNAMAPTADORA3HTTGAA
SCHEMBL3236970 0.82 ADORA2A (0.49) ADORA2AADORA2BLMNAMAPTADORA3
SCHEMBL3227456 0.81 LMNA (0.82) KMT2ALMNAMAPTADORA3HTT
SCHEMBL3235634 0.81 LMNA (0.78) LMNAMAPTADORA3HTTGAA

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 ADORA2A 183/4885ADORA2B 130/4885KMT2A 4493/4885

“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.