SCHEMBL4921222

SCHEMBL4921222

COC(=O)[C@@H]1C[C@@H](OC(=O)C(F)(F)F)CN1c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)C3O)c2n1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.56
ADORA3 P0DMS8 5/20 0.53
ADORA1 P30542 5/20 0.53
ADORA2B P29275 4/20 0.53

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
SCHEMBL3908345 1.00 ADORA2A (0.56) ADORA2AADORA3ADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL4921219 0.90 ADORA2A (0.56) ADORA2AADORA3ADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL3908342 0.90 ADORA2A (0.56) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4232859 0.85 ADORA2A (0.57) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4222210 0.85 ADORA2A (0.57) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4222207 0.85 ADORA2A (0.57) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL3905236 0.85 ADORA2A (0.57) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4232857 0.85 ADORA2A (0.57) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4923640 0.84 ADORA2A (0.58) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4923638 0.84 ADORA2A (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US claimed

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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA1 3/4885

“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.