SCHEMBL4368669

SCHEMBL4368669

CCOC(=O)c1ccc(N2CCC(NC(=O)N[C@@H]3CCN(c4nc(NCC(c5ccccc5)c5ccccc5)c5ncn([C@@H]6O[C@H](C)[C@@H](OC(=O)C(F)(F)F)[C@H]6O)c5n4)C3)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.48
ADORA3 P0DMS8 6/20 0.40
ADORA1 P30542 6/20 0.40
ADORA2B P29275 4/20 0.40

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
SCHEMBL5218943 0.92 ADORA2A (0.49) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL3913446 0.85 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4225559 0.85 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4228327 0.83 ADORA2A (0.56) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL589539 0.82 ADORA2A (0.45) ADORA2AADORA3ADORA1
Trifluoroacetic Acid SCHEMBL4225568 0.82 ADORA2A (0.62) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL3913831 0.81 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL589540 0.81 ADORA2A (0.46) ADORA2AADORA3ADORA1
SCHEMBL4220432 0.81 ADORA2A (0.44) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4230232 0.80 ADORA2A (0.44) ADORA2AADORA3ADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US claimed
EP-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 EP claimed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 WO claimed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
EP-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 EP disclosed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA1 3/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 ADORA2A 2314/4885ADORA3 545/4885ADORA1 838/4885

“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.