SCHEMBL15469746

SCHEMBL15469746

CCCCNc1nc(NC(=O)OC(C)(C)C)ncc1OCCOCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 3/20 0.41
▸ TLR7 Q9NYK1 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HDAC3 O15379 2/20 0.39
▸ MERTK Q12866 3/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ TYRO3 Q06418 1/20 0.39
▸ GAS6 Q14393 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ EGFR P00533 1/20 0.37
▸ ITK Q08881 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ STK17B O94768 1/20 0.37
▸ STK17A Q9UEE5 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 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
SCHEMBL13195105 0.84 STK17B (0.42) TLR8MERTKFLT3TYRO3GAS6
SCHEMBL15469750 0.83 LMNA (0.40) CYP1A2CYP2D6MERTKTYRO3GAS6
SCHEMBL15469709 0.82 CYP2D6 (0.42) TLR8TLR7CYP1A2CYP2D6HDAC3
SCHEMBL15469749 0.81 MERTK (0.41) TLR8MERTKFLT3TYRO3GAS6
SCHEMBL20219443 0.81 MERTK (0.39) TLR8MERTKFLT3TYRO3GAS6
SCHEMBL13195805 0.80 TLR7 (0.57) TLR8TLR7CYP1A2CYP2D6L3MBTL1
SCHEMBL17123643 0.79 CYP1A2 (0.52) TLR8TLR7CYP1A2CYP2D6HDAC3
SCHEMBL20219543 0.79 TLR8 (0.47) TLR8TLR7CYP1A2CYP2D6MERTK
SCHEMBL20386594 0.75 CYP1A2 (0.48) TLR8TLR7CYP1A2CYP2D6HDAC3
SCHEMBL13195019 0.74 TLR7 (0.46) TLR8TLR7CYP1A2CYP2D6HDAC3

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 16 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

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 TLR8 1540/4885TLR7 1000/4885CYP1A2 714/4885
US-20200061059-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 TLR8 1540/4885TLR7 1000/4885CYP1A2 714/4885
US-10420767-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 TLR8 1540/4885TLR7 1000/4885CYP1A2 714/4885
US-20140045849-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 TLR8 1540/4885TLR7 1000/4885CYP1A2 714/4885
US-10272085-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 TLR8 1540/4885TLR7 1000/4885CYP1A2 714/4885
US-11541050-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 TLR8 1540/4885TLR7 1000/4885CYP1A2 714/4885
US-20210023082-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 TLR8 1540/4885TLR7 1000/4885CYP1A2 714/4885
US-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 TLR8 1540/4885TLR7 1000/4885CYP1A2 714/4885
US-20170239245-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 TLR8 1540/4885TLR7 1000/4885CYP1A2 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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