SCHEMBL13195019

SCHEMBL13195019

CCCCNc1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 6/20 0.46
▸ TLR8 Q9NR97 5/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.36

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
SCHEMBL15469708 0.88 TLR8 (0.44) TLR7TLR8CYP1A2CYP2D6CYP3A4
SCHEMBL13195085 0.87 TLR8 (0.50) TLR7TLR8CYP1A2CYP2D6HDAC3
SCHEMBL21769120 0.87 CYP1A2 (0.41) TLR7TLR8CYP1A2CYP2D6HDAC3
SCHEMBL15469710 0.84 TLR8 (0.39) TLR7TLR8CYP1A2CYP2D6CYP3A4
SCHEMBL15469754 0.82 HTR2A (0.37) TLR7TLR8L3MBTL1
SCHEMBL13195087 0.81 STK17B (0.41) TLR7TLR8L3MBTL1
SCHEMBL13195671 0.79 TLR7 (0.39) TLR7
SCHEMBL15469752 0.79 TLR8 (0.38) TLR7TLR8CYP1A2
SCHEMBL23472264 0.77 TLR8 (0.33) TLR7TLR8
SCHEMBL20219250 0.77 STK17B (0.40) TLR7TLR8L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541050-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2023-01-03 — — US disclosed
EP-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
US-20210023082-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2021-01-28 — — US disclosed
US-10780089-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2020-09-22 — — US disclosed
US-20200061059-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2020-02-27 — — US disclosed
US-10420767-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2019-09-24 — — US disclosed
US-10272085-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2019-04-30 — — US disclosed
US-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2018-07-26 — — US disclosed
US-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2018-07-26 — — US disclosed
EP-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 — — EP disclosed
US-20170239245-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-24 — — US disclosed
US-20170239245-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-24 — — US disclosed
US-9422250-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2016-08-23 — — US disclosed
US-9422250-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2016-08-23 — — US disclosed
US-20140045849-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2014-02-13 — — US disclosed
US-20140045849-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2014-02-13 — — US disclosed
WO-2012136834-A9 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN R&D IRELAND (IE) 2012-12-27 — — WO disclosed
WO-2012136834-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN R&D IRELAND (IE) 2012-10-11 — — 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 (9 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-10780089-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 TLR7 1000/4885TLR8 1540/4885CYP1A2 714/4885
US-20200061059-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 TLR7 1000/4885TLR8 1540/4885CYP1A2 714/4885
US-10420767-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 TLR7 1000/4885TLR8 1540/4885CYP1A2 714/4885
US-20140045849-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 TLR7 1000/4885TLR8 1540/4885CYP1A2 714/4885
US-10272085-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 TLR7 1000/4885TLR8 1540/4885CYP1A2 714/4885
US-11541050-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 TLR7 1000/4885TLR8 1540/4885CYP1A2 714/4885
US-20210023082-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 TLR7 1000/4885TLR8 1540/4885CYP1A2 714/4885
US-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 TLR7 1000/4885TLR8 1540/4885CYP1A2 714/4885
US-20170239245-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 TLR7 1000/4885TLR8 1540/4885CYP1A2 714/4885

“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.

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