SCHEMBL20740720

SCHEMBL20740720

CCCCOc1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 1.00
IL6 P05231 6/20 0.80
NUDT1 P36639 1/20 0.80

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
SCHEMBL30503510 0.91 TLR7 (0.84) TLR7IL6
SCHEMBL22347124 0.91 TLR7 (0.84) TLR7IL6
SCHEMBL1145915 0.91 TLR7 (0.84) TLR7IL6NUDT1
Hydrochloric Acid SCHEMBL1146402 0.90 TLR7 (0.82) TLR7IL6NUDT1
SCHEMBL26354073 0.90 TLR7 (0.82) TLR7IL6
SCHEMBL29381054 0.89 TLR7 (1.00) TLR7IL6NUDT1
SCHEMBL1641626 0.89 TLR7 (1.00) TLR7IL6NUDT1
SCHEMBL1146322 0.89 TLR7 (0.79) TLR7IL6NUDT1
SCHEMBL24247632 0.89 TLR7 (0.82) TLR7IL6
SCHEMBL1146578 0.89 TLR7 (0.79) TLR7IL6NUDT1

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111201228-B 6-amino-7, 9-dihydro-8H-purin-8-one derivatives as Toll-like receptor 7 (TLR 7) agonists 百时美施贵宝公司 2024-04-09 CN disclosed
CN-111032657-B 6-amino-7, 9-dihydro-8H-purin-8-one derivatives as immunostimulant Toll-like receptor 7 (TLR 7) agonists 百时美施贵宝公司 2024-03-29 CN disclosed
CN-111225918-B Toll-like receptor 7 (TLR 7) agonists with tricyclic moieties, conjugates thereof, methods and uses thereof 百时美施贵宝公司 2024-01-19 CN 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
EP-3668869-B1 6-AMINO-7,9-DIHYDRO-8H-PURIN-8-ONE DERIVATIVES AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AS IMMUNOSTIMULANTS BRISTOL MYERS SQUIBB CO (US) 2022-01-12 EP disclosed
EP-3668870-B1 6-AMINO-7,9-DIHYDRO-8H-PURIN-8-ONE DERIVATIVES AS IMMUNOSTIMULANT TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-12-08 EP disclosed
EP-3668868-B1 TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS HAVING A TRICYCLIC MOIETY, CONJUGATES THEREOF, AND METHODS AND USES THEREFOR BRISTOL MYERS SQUIBB CO (US) 2021-09-22 EP disclosed
EP-3668871-B1 6-AMINO-7,9-DIHYDRO-8H-PURIN-8-ONE DERIVATIVES AS IMMUNOSTIMULANT TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-08-04 EP disclosed
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-10941145-B2 Toll-like receptor 7 (TLR7) agonists having a benzotriazole moiety, conjugates thereof, and methods and uses therefor BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-09 US disclosed
US-10457681-B2 Toll-like receptor 7 (TLR7) agonists having a tricyclic moiety, conjugates thereof, and methods and uses therefor Bristol_Myers Squibb Company (US) 2019-10-29 US 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
US-20190055243-A1 TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS HAVING A BENZOTRIAZOLE MOIETY, CONJUGATES THEREOF, AND METHODS AND USES THEREFOR BRISTOL-MYERS SQUIBB COMPANY 2019-02-21 US disclosed
US-20190055247-A1 TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS HAVING HETEROATOM-LINKED AROMATIC MOIETIES, CONJUGATES THEREOF, AND METHODS AND USES THEREFOR BRISTOL-MYERS SQUIBB COMPANY 2019-02-21 US disclosed
US-20190055244-A1 TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS HAVING A TRICYCLIC MOIETY, CONJUGATES THEREOF, AND METHODS AND USES THEREFOR BRISTOL-MYERS SQUIBB COMPANY 2019-02-21 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
WO-2019035969-A1 TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS HAVING A TRICYCLIC MOIETY, CONJUGATES THEREOF, AND METHODS AND USES THEREFOR BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-21 WO disclosed
WO-2019035971-A1 6-AMINO-7,9-DIHYDRO-8H-PURIN-8-ONE DERIVATIVES AS IMMUNOSTIMULANT TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-21 WO disclosed
US-20190055246-A1 TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS HAVING A HETEROBIARYL MOIETY, CONJUGATES THEREOF, AND METHODS AND USES THEREFOR BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-21 US disclosed
WO-2019035970-A1 6-AMINO-7,9-DIHYDRO-8H-PURIN-8-ONE DERIVATIVES AS IMMUNOSTIMULANT TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-21 WO 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 (8 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-10941145-B2 Toll-like receptor 7 (TLR7) agonists having a benzotriazole moiety, conjugates thereof, and methods and uses therefor TLR7, TLR1, TLR4 TLR7 1/4885IL6 601/4885NUDT1 1575/4885
US-20190055243-A1 TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS HAVING A BENZOTRIAZOLE MOIETY, CONJUGATES THEREOF, AND METHODS AND USES THEREFOR TLR7, TLR1, TLR4 TLR7 1/4885IL6 601/4885NUDT1 1575/4885
US-10981914-B2 Toll-like receptor 7 (TLR7) agonists having a tricyclic moiety, conjugates thereof, and methods and uses therefor TLR7, TLR1, TLR4 TLR7 1/4885IL6 752/4885NUDT1 2820/4885
US-20190055244-A1 TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS HAVING A TRICYCLIC MOIETY, CONJUGATES THEREOF, AND METHODS AND USES THEREFOR TLR7, TLR1, TLR4 TLR7 1/4885IL6 760/4885NUDT1 2627/4885
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 TLR7 1/4885IL6 329/4885NUDT1 2124/4885
US-20190055246-A1 TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS HAVING A HETEROBIARYL MOIETY, CONJUGATES THEREOF, AND METHODS AND USES THEREFOR TLR7, TLR9, TLR1 TLR7 1/4885IL6 562/4885NUDT1 2474/4885
US-20190055247-A1 TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS HAVING HETEROATOM-LINKED AROMATIC MOIETIES, CONJUGATES THEREOF, AND METHODS AND USES THEREFOR TLR7, TLR1, TLR8 TLR7 1/4885IL6 577/4885NUDT1 1567/4885
US-10457681-B2 Toll-like receptor 7 (TLR7) agonists having a tricyclic moiety, conjugates thereof, and methods and uses therefor TLR7, TLR1, TLR4 TLR7 1/4885IL6 760/4885NUDT1 2627/4885

“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.