SCHEMBL6508095

SCHEMBL6508095

CCCn1c(=O)c2[nH]c(-c3ccc(CN)cc3)cc2n(CCC)c1=O

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.78
ADORA2B P29275 19/20 0.78
ADORA1 P30542 4/20 0.73
ADORA3 P0DMS8 3/20 0.73

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
SCHEMBL6509013 0.88 ADORA2A (0.78) ADORA2AADORA2BADORA1ADORA3
SCHEMBL6509078 0.83 ADORA2A (0.70) ADORA2AADORA2BADORA1ADORA3
SCHEMBL6501836 0.82 ADORA2A (0.69) ADORA2AADORA2BADORA1ADORA3
SCHEMBL6509609 0.82 ADORA2B (0.76) ADORA2AADORA2BADORA1ADORA3
SCHEMBL6508641 0.81 ADORA2B (0.73) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4049550 0.81 ADORA2B (0.72) ADORA2AADORA2BADORA1ADORA3
SCHEMBL14003155 0.81 ADORA2B (0.73) ADORA2AADORA2BADORA1ADORA3
SCHEMBL6510835 0.80 ADORA2B (0.67) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4464325 0.78 ADORA2B (0.67) ADORA2AADORA2BADORA1ADORA3
SCHEMBL6506951 0.78 ADORA2B (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192339-A1 Compounds BIOVITRUM AB (SE) 2005-09-01 US claimed
US-20050192339-A1 Compounds BIOVITRUM AB (SE) 2005-09-01 US disclosed
US-20050070558-A1 6-Phenyldihydropyrrolopyrimidinedione derivatives ALMIRALL PRODESFARMA S.A. (ES) 2005-03-31 US 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-20050070558-A1 6-Phenyldihydropyrrolopyrimidinedione derivatives ADORA1, ADORA2A, P2RY10 ADORA2A 2/4885ADORA2B 4/4885ADORA1 1/4885
US-20050192339-A1 Compounds MCHR1, HCRTR1, NPY1R ADORA2A 228/4885ADORA2B 205/4885ADORA1 61/4885

“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.