SCHEMBL22508602

SCHEMBL22508602

CC(C)c1nc(N)c2nc(O)n(C)c2n1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.57
ADORA1 P30542 11/20 0.57
HRH4 Q9H3N8 1/20 0.32
ADORA2B P29275 4/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL20755262 0.81 ADORA2A (0.46) ADORA2AADORA1ADORA2BADORA3
SCHEMBL12305200 0.77 ADORA1 (0.54) ADORA2AADORA1ADORA2BADORA3
SCHEMBL18481155 0.75 ADORA1 (0.35) ADORA2AADORA1ADORA2BADORA3
SCHEMBL13866482 0.73 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5732055 0.71 TLR7 (0.43) ADORA2AADORA1
SCHEMBL24081083 0.71 LMNA (0.41) ADORA2AADORA1ADORA2BADORA3
SCHEMBL18165669 0.69 CDK1 (0.60) ADORA2AADORA1ADORA2B
SCHEMBL2980005 0.68 ADORA2A (0.64) ADORA2AADORA1ADORA2BADORA3
SCHEMBL23475880 0.66 TLR7 (0.48)
SCHEMBL12590752 0.66 ADORA1 (0.46) ADORA2AADORA1ADORA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981914-B2 Toll-like receptor 7 (TLR7) agonists having a tricyclic moiety, conjugates thereof, and methods and uses therefor Bristol-Myers Squibb Companay (US) 2021-04-20 US disclosed
US-10927114-B2 Toll-like receptor 7 (TLR7) agonists having a heterobiaryl moiety, conjugates thereof, and methods and uses therefor BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-23 US disclosed
US-20200317672-A1 TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS HAVING A HETEROBIARYL MOIETY, CONJUGATES THEREOF, AND METHODS AND USES THEREFOR BRISTOL-MYERS SQUIBB COMPANY 2020-10-08 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 (3 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-10927114-B2 Toll-like receptor 7 (TLR7) agonists having a heterobiaryl moiety, conjugates thereof, and methods and uses therefor TLR7, TLR9, TLR1 ADORA2A 176/4885ADORA1 112/4885HRH4 190/4885
US-10981914-B2 Toll-like receptor 7 (TLR7) agonists having a tricyclic moiety, conjugates thereof, and methods and uses therefor TLR7, TLR1, TLR4 ADORA2A 505/4885ADORA1 227/4885HRH4 157/4885
US-20200317672-A1 TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS HAVING A HETEROBIARYL MOIETY, CONJUGATES THEREOF, AND METHODS AND USES THEREFOR TLR7, TLR9, TLR1 ADORA2A 176/4885ADORA1 112/4885HRH4 190/4885

“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.