SCHEMBL7157779

SCHEMBL7157779

CNC(=O)C1OC(n2cnc3c(NC4CC4c4ccccc4)ncnc32)C(O)C1N

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 16/20 0.69
ADORA1 P30542 8/20 0.69
ADORA2A P29274 5/20 0.66
ADORA2B P29275 3/20 0.54
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
HSP90AA1 P07900 1/20 0.52
HSP90B1 P14625 1/20 0.52
AHCY P23526 1/20 0.52
CYP3A4 P08684 1/20 0.52
NFKB1 P19838 1/20 0.52

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
SCHEMBL6482623 1.00 ADORA3 (0.69) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL6481860 0.92 ADORA2A (0.68) ADORA3ADORA1ADORA2AADORA2BAHCY
SCHEMBL6481597 0.82 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL6481970 0.80 ADORA3 (0.76) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL6489139 0.80 ADORA3 (0.71) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL18675355 0.80 ADORA3 (0.70) ADORA3ADORA1ADORA2A
SCHEMBL6493884 0.76 ADORA3 (0.68) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL6482668 0.76 ADORA3 (0.68) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL6481291 0.76 ADORA3 (0.74) ADORA3ADORA1TSHRBLMCYP3A4
SCHEMBL6482054 0.75 ADORA3 (0.84) ADORA3ADORA1ADORA2AADORA2BTSHR

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-20030055021-A1 Compounds for the treatment of ischemia PFIZER, INC. 2003-03-20 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-20030055021-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 ADORA3 29/4885ADORA1 89/4885ADORA2A 79/4885

“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.