SCHEMBL6482668

SCHEMBL6482668

CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCc4ccccn4)ncnc32)[C@@H](O)[C@@H]1N

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 12/20 0.68
ADORA1 P30542 4/20 0.68
ADORA2A P29274 1/20 0.64
ADORA2B P29275 1/20 0.64
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL6493884 1.00 ADORA3 (0.68) ADORA3ADORA1ADORA2AADORA2BCYP3A4
SCHEMBL6481970 0.89 ADORA3 (0.76) ADORA3ADORA1ADORA2AADORA2BCYP3A4
SCHEMBL6481565 0.86 ADORA3 (0.67) ADORA3ADORA1ADORA2AADORA2BCYP3A4
SCHEMBL6481424 0.85 ADORA3 (0.65) ADORA3ADORA1ADORA2AADORA2BCYP3A4
SCHEMBL6480864 0.85 ADORA3 (0.65) ADORA3ADORA1ADORA2AADORA2BCYP3A4
SCHEMBL6483985 0.85 ADORA3 (0.69) ADORA3ADORA1ADORA2AADORA2BCYP3A4
SCHEMBL6492702 0.85 ADORA3 (0.69) ADORA3ADORA1ADORA2AADORA2BCYP3A4
SCHEMBL14111891 0.84 ADORA3 (0.79) ADORA3ADORA1ADORA2AADORA2BCYP3A4
SCHEMBL14086532 0.84 ADORA3 (0.79) ADORA3ADORA1ADORA2AADORA2BCYP3A4
SCHEMBL6489139 0.83 ADORA3 (0.71) ADORA3ADORA1ADORA2AADORA2BCYP3A4

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-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 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-20050171049-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, TBXA2R ADORA3 4/4885ADORA1 14/4885ADORA2A 6/4885

“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.