SCHEMBL20009993

SCHEMBL20009993

C=P(C)(C)CC(C)[C@H]1O[C@@H](n2cnc3c(N)nc(CCC)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA1 P30542 1/20 0.49
ADORA2B P29275 3/20 0.48
HSP90B1 P14625 1/20 0.46

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
SCHEMBL20010094 0.95 ADORA2A (0.54) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL20010222 0.94 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL20009824 0.88 DNMT1 (0.51) ADORA2AADORA3ADORA2B
SCHEMBL18852323 0.81 ADORA3 (0.57) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL14928896 0.81 ADORA3 (0.57) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL15868480 0.81 ADORA3 (0.57) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL14946114 0.81 ADORA3 (0.57) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL20010003 0.80 ADORA2B (0.47) ADORA2AADORA3ADORA1ADORA2BHSP90B1
SCHEMBL27715184 0.77 ADORA3 (0.76) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL2463066 0.77 ADORA3 (0.64) 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-20180086807-A1 MODIFIED POLYNUCLEOTIDES FOR THE PRODUCTION OF PROTEINS ASSOCIATED WITH HUMAN DISEASE MODERNATX, INC. 2018-03-29 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-20180086807-A1 MODIFIED POLYNUCLEOTIDES FOR THE PRODUCTION OF PROTEINS ASSOCIATED WITH HUMAN DISEASE POLRMT, POLM, POLN ADORA2A 3329/4885ADORA3 3596/4885ADORA1 3902/4885

“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.