SCHEMBL3225873

SCHEMBL3225873

CCc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2CC2CCCCC2)n1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
MAPT P10636 2/20 0.53
ADORA3 P0DMS8 4/20 0.49
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
PDE5A O76074 7/20 0.47
PDE4A P27815 6/20 0.47
PDE4B Q07343 6/20 0.47
PDE4C Q08493 6/20 0.47
PDE4D Q08499 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ADRB2 P07550 1/20 0.44
STAT6 P42226 1/20 0.44
HIF1A Q16665 1/20 0.44
ADORA2A P29274 2/20 0.43
ADORA2B P29275 2/20 0.43

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
SCHEMBL3234639 0.86 MAPT (0.55) LMNAMAPTADORA3HTTGAA
SCHEMBL3237069 0.85 LMNA (0.51) LMNAMAPTADORA3HTTGAA
SCHEMBL3238173 0.84 MAPT (0.55) LMNAMAPTADORA3SMN1; SMN2ALDH1A1
SCHEMBL3233622 0.83 HTT (0.49) LMNAMAPTADORA3HTTGAA
SCHEMBL3234215 0.83 HTT (0.49) LMNAMAPTADORA3HTTGAA
SCHEMBL13940720 0.82 MAPT (0.51) LMNAMAPTADORA3HTTGAA
SCHEMBL3229109 0.82 ADORA2A (0.59) LMNAMAPTADORA3HTTALDH1A1
SCHEMBL3233596 0.81 MAPT (0.48) LMNAMAPTADORA3SMN1; SMN2ALDH1A1
SCHEMBL3236349 0.81 MAPT (0.50) LMNAMAPTADORA3HTTGAA
SCHEMBL3240004 0.81 MAPT (0.56) 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 12 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 claimed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US claimed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 WO claimed
US-20100273835-A1 NOVEL COMPOUNDS PROBIODRUG AG (DE) 2010-10-28 US disclosed
EP-2178830-A2 NOVEL COMPOUNDS Probiodrug AG (DE) 2010-04-28 EP disclosed
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-2009007415-A2 NOVEL COMPOUNDS PROBIODRUG AG (DE) 2009-01-15 WO 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 (2 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-20100273835-A1 NOVEL COMPOUNDS IL6, PREP, PEPD LMNA 3190/4885MAPT 206/4885ADORA3 2024/4885
US-20090023704-A1 Novel Compounds 737 GRPR, GABRB1, GABBR1 LMNA 3908/4885MAPT 2910/4885ADORA3 177/4885

“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.