SCHEMBL3240617

SCHEMBL3240617

CCCn1c(=O)n(Cc2ccc(C#N)cc2)c(=O)c2c1nc(CC)n2C

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.47
ADORA2B P29275 5/20 0.47
ADORA1 P30542 4/20 0.47
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL3238173 0.86 MAPT (0.55) ADORA2AADORA2BADORA1ADORA3
SCHEMBL3221616 0.85 ADORA1 (0.55) ADORA2AADORA2BADORA1ADORA3
SCHEMBL3224011 0.83 ADORA3 (0.60) ADORA2AADORA1ADORA3
SCHEMBL3227315 0.83 ADORA3 (0.48) ADORA2AADORA2BADORA1ADORA3
SCHEMBL3231334 0.82 ADORA3 (0.48) ADORA2AADORA2BADORA1ADORA3
SCHEMBL3236227 0.82 MAPT (0.58) ADORA2AADORA2B
SCHEMBL3234639 0.81 MAPT (0.55) ADORA2AADORA2BADORA1ADORA3
SCHEMBL3226126 0.80 ADORA1 (0.60) ADORA2AADORA2BADORA1ADORA3
SCHEMBL3231844 0.80 ALDH1A1 (0.53) ADORA2AADORA2BADORA1ADORA3
SCHEMBL3236101 0.80 ADORA2A (0.51) ADORA2AADORA2BADORA1ADORA3

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 130/4885ADORA1 164/4885

“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.