SCHEMBL6509045

SCHEMBL6509045

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 1.00
ADORA2B P29275 20/20 1.00
ADORA3 P0DMS8 1/20 0.65
ADORA1 P30542 1/20 0.65

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
SCHEMBL6509264 0.87 ADORA2B (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6502217 0.86 ADORA2A (0.76) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6503696 0.84 ADORA2B (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6512027 0.84 ADORA2B (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6509136 0.83 ADORA2B (1.00) ADORA2AADORA2B
SCHEMBL6506951 0.83 ADORA2B (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6508242 0.82 ADORA2B (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6509624 0.82 ADORA2B (0.74) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6510093 0.82 ADORA2A (0.77) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6509609 0.82 ADORA2B (0.76) ADORA2AADORA2BADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050070558-A1 6-Phenyldihydropyrrolopyrimidinedione derivatives ALMIRALL PRODESFARMA S.A. (ES) 2005-03-31 US disclosed
US-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2005-02-24 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 4/4885ADORA3 6/4885
US-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT ADORA2A 4078/4885ADORA2B 3136/4885ADORA3 2871/4885

“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.