SCHEMBL4124284

SCHEMBL4124284

CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCCc4ccc(S(N)(=O)=O)cc4)nc(NCCc4c[nH]cn4)nc32)[C@H](OC(=O)C(F)(F)F)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.48
ADORA3 P0DMS8 9/20 0.48
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
PGK1 P00558 3/20 0.34
PGK2 P07205 3/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL4124282 0.91 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL1402039 0.88 ADORA2A (0.50) ADORA2AADORA3ADORA1
SCHEMBL4110157 0.87 ADORA3 (0.41) ADORA2AADORA3ADORA1
SCHEMBL4113502 0.85 ADORA2A (0.42) ADORA2AADORA3KDM4ENPC1MAPT
SCHEMBL1402061 0.84 ADORA2A (0.51) ADORA2AADORA3ADORA1
SCHEMBL4117867 0.83 ADORA2A (0.63) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4110298 0.83 ADORA2A (0.51) ADORA2AADORA3
SCHEMBL4125022 0.83 ADORA2A (0.47) ADORA2AADORA3ADORA1
SCHEMBL4124595 0.82 ADORA3 (0.38) ADORA2AADORA3ADORA1
SCHEMBL241328 0.81 ADORA3 (0.37) ADORA2AADORA3ADORA1

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-20090099214-A1 Organic Compounds NOVARTIS AG 2009-04-16 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 (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-20090099214-A1 Organic Compounds CYP3A43, OXER1, OPRM1 ADORA2A 2082/4885ADORA3 554/4885ADORA2B 1613/4885

“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.