SCHEMBL17920451

SCHEMBL17920451

CC(C)(C)OC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(O)[C@H]1O

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.67
▸ ADORA2A P29274 2/20 0.64
▸ ADORA2B P29275 1/20 0.61

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
SCHEMBL17920515 1.00 ADORA1 (0.67) ADORA1ADORA2AADORA2B
SCHEMBL17920513 0.87 NT5E (0.60) ADORA1ADORA2AADORA2B
SCHEMBL17920430 0.87 NT5E (0.60) ADORA1ADORA2AADORA2B
SCHEMBL17920478 0.86 ADORA1 (0.61) ADORA1ADORA2AADORA2B
SCHEMBL155837 0.86 SLC29A1 (0.75) ADORA1ADORA2AADORA2B
SCHEMBL155836 0.86 SLC29A1 (0.75) ADORA1ADORA2AADORA2B
SCHEMBL18571809 0.84 PI4KA (0.62) ADORA1ADORA2A
SCHEMBL12379237 0.84 PI4KA (0.62) ADORA1ADORA2A
SCHEMBL20699834 0.84 PI4KA (0.62) ADORA1ADORA2A
SCHEMBL15865951 0.84 BMPR1B (0.68) ADORA2AADORA2B

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-20160199491-A1 Compounds compositions and methods including thermally labile moieties BIOSEARCH TECHNOLOGIES, INC. (US) 2016-07-14 — — 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-20160199491-A1 Compounds compositions and methods including thermally labile moieties CBR3, ORC3, MSRB3 ADORA1 484/4885ADORA2A 745/4885ADORA2B 313/4885

“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.

Send feedback