SCHEMBL20755262

SCHEMBL20755262

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.46
ADORA1 P30542 3/20 0.46
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL22508602 0.81 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL20758215 0.81 ADORA1 (0.40) ADORA2AADORA1ADORA3ADORA2BCDK1
SCHEMBL20755889 0.78 ADORA2A (0.35) ADORA2AADORA1ADORA3ADORA2BCDK1
SCHEMBL5732055 0.70 TLR7 (0.43) ADORA2AADORA1
SCHEMBL20897177 0.66 ADORA2A (0.35) ADORA2AADORA1
SCHEMBL20755691 0.65 MEN1 (0.39) ADORA2AADORA1CDK1
SCHEMBL18165669 0.64 CDK1 (0.60) ADORA2AADORA1ADORA2BCDK1CCNB1
SCHEMBL27405153 0.63 ADORA1 (0.41) ADORA2AADORA1ADORA3ADORA2BCDK1
SCHEMBL5732033 0.63 KDM4E (0.39) ADORA2AADORA1
SCHEMBL11284152 0.63 ADORA2A (0.36) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11911483-B2 Modified self-immolating moieties for use in prodrugs and conjugates and methods of using and making BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-27 US disclosed
US-11911483-B2 Modified self-immolating moieties for use in prodrugs and conjugates and methods of using and making BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-27 US disclosed
EP-3668872-B1 6-AMINO-7,9-DIHYDRO-8H-PURIN-8-ONE DERIVATIVES AS IMMUNOSTIMULANT TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-02-23 EP disclosed
US-20210113706-A1 MODIFIED SELF-IMMOLATING MOIETIES FOR USE IN PRODRUGS AND CONJUGATES AND METHODS OF USING AND MAKING BRISTOL-MYERS SQUIBB COMPANY 2021-04-22 US disclosed
US-20210053979-A1 MACROCYCLIC TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2021-02-25 US disclosed
US-10494370-B2 Toll-like receptor 7 (TLR7) agonists having a pyridine or pyrazine moiety, conjugates thereof, and methods and uses therefor BRISTOL-MYERS SQUIBB COMPANY (US) 2019-12-03 US disclosed
WO-2019035968-A1 6-AMINO-7,9-DIHYDRO-8H-PURIN-8-ONE DERIVATIVES AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AS IMMUNOSTIMULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-21 WO disclosed
US-20190055245-A1 TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS HAVING A PYRIDINE OR PYRAZINE MOIETY, CONJUGATES THEREOF, AND METHODS AND USES THEREFOR BRISTOL-MYERS SQUIBB COMPANY 2019-02-21 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 (5 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-11911483-B2 Modified self-immolating moieties for use in prodrugs and conjugates and methods of using and making PAICS, UGT1A1, CYP7A1 ADORA2A 2127/4885ADORA1 1571/4885ADORA3 2401/4885
US-20210053979-A1 MACROCYCLIC TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 ADORA2A 469/4885ADORA1 806/4885ADORA3 891/4885
US-20190055245-A1 TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS HAVING A PYRIDINE OR PYRAZINE MOIETY, CONJUGATES THEREOF, AND METHODS AND USES THEREFOR TLR7, TLR1, TLR4 ADORA2A 200/4885ADORA1 126/4885ADORA3 282/4885
US-10494370-B2 Toll-like receptor 7 (TLR7) agonists having a pyridine or pyrazine moiety, conjugates thereof, and methods and uses therefor TLR7, TLR1, TLR4 ADORA2A 200/4885ADORA1 126/4885ADORA3 282/4885
US-20210113706-A1 MODIFIED SELF-IMMOLATING MOIETIES FOR USE IN PRODRUGS AND CONJUGATES AND METHODS OF USING AND MAKING PAICS, UGT1A1, CYP7A1 ADORA2A 2127/4885ADORA1 1571/4885ADORA3 2401/4885

“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.