SCHEMBL2849013

SCHEMBL2849013

Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1NC(=O)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.68
ADORA2B P29275 20/20 0.68
ADORA1 P30542 20/20 0.68
ADORA3 P0DMS8 19/20 0.68

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
SCHEMBL4045001 0.87 ADORA2A (0.68) ADORA2AADORA2BADORA1ADORA3
SCHEMBL2980888 0.84 ADORA2A (0.71) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4047854 0.84 ADORA2A (0.74) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4047697 0.83 ADORA2A (0.73) ADORA2AADORA2BADORA1ADORA3
SCHEMBL13322071 0.82 ADORA2A (0.86) ADORA2AADORA2BADORA1ADORA3
Vipadenant SCHEMBL29359313 0.82 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
Vipadenant SCHEMBL29421124 0.82 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
Vipadenant SCHEMBL2849027 0.82 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4048578 0.80 ADORA2A (0.65) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4046292 0.80 ADORA2A (0.85) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117308-A1 POLYMORPHS AND SOLVATES OF A PHARMACEUTICAL AND METHODS OF MAKING Biogen Idec MA Inc. (US) 2009-11-18 EP claimed
WO-2008086201-A1 POLYMORPHS AND SOLVATES OF A PHARMACEUTICAL AND METHODS OF MAKING BIOGEN IDEC MA INC. (US) 2008-07-17 WO claimed
US-20100130515-A1 Polymorphs and solvates of a pharmaceutical and method of making BIOGEN IDEC INC. (US) 2010-05-27 US disclosed
US-20100130515-A1 Polymorphs and solvates of a pharmaceutical and method of making BIOGEN IDEC INC. (US) 2010-05-27 US disclosed
US-20100130515-A1 Polymorphs and solvates of a pharmaceutical and method of making BIOGEN IDEC INC. (US) 2010-05-27 US disclosed
EP-2117308-A1 POLYMORPHS AND SOLVATES OF A PHARMACEUTICAL AND METHODS OF MAKING Biogen Idec MA Inc. (US) 2009-11-18 EP disclosed
WO-2008086201-A1 POLYMORPHS AND SOLVATES OF A PHARMACEUTICAL AND METHODS OF MAKING BIOGEN IDEC MA INC. (US) 2008-07-17 WO disclosed
WO-2008086201-A1 POLYMORPHS AND SOLVATES OF A PHARMACEUTICAL AND METHODS OF MAKING BIOGEN IDEC MA INC. (US) 2008-07-17 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-20100130515-A1 Polymorphs and solvates of a pharmaceutical and method of making CYP3A7, CYP2D6, CYP3A5 ADORA2A 832/4885ADORA2B 399/4885ADORA1 1274/4885

“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.