SCHEMBL15469760

SCHEMBL15469760

CCC[C@@H](CCO)Nc1nc(NC(C)=O)ncc1O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.43
TLR7 Q9NYK1 7/20 0.40
CYP2D6 P10635 2/20 0.40
TLR8 Q9NR97 3/20 0.39
DRD1 P21728 1/20 0.39
HTR2A P28223 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL13195801 0.93 TLR8 (0.45) KCNH2TLR7TLR8
SCHEMBL20386629 0.89 KCNH2 (0.44) KCNH2TLR7CYP2D6TLR8DRD1
SCHEMBL15469719 0.84 TLR7 (0.44) KCNH2TLR7TLR8
SCHEMBL15469765 0.79 KCNH2 (0.45) KCNH2TLR7CYP2D6TLR8ADORA1
SCHEMBL20418683 0.75 KCNH2 (0.30) KCNH2
SCHEMBL17123640 0.74 TLR8 (0.42) KCNH2TLR7TLR8
SCHEMBL15469762 0.74 TLR7 (0.62) TLR7CYP2D6TLR8DRD1HTR2A
SCHEMBL13195028 0.73 KCNH2 (0.47) KCNH2TLR7TLR8
SCHEMBL21920109 0.70 BRD4 (0.44) KCNH2TLR7CYP2D6TLR8ADORA1
SCHEMBL23472465 0.69 KCNH2 (0.55) KCNH2TLR7CYP2D6TLR8DRD1

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 17 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-2694484-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2018-07-18 EP 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 KCNH2 4679/4885TLR7 1000/4885CYP2D6 361/4885
US-20200061059-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 KCNH2 4679/4885TLR7 1000/4885CYP2D6 361/4885
US-10420767-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 KCNH2 4679/4885TLR7 1000/4885CYP2D6 361/4885
US-20140045849-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 KCNH2 4679/4885TLR7 1000/4885CYP2D6 361/4885
US-10272085-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 KCNH2 4679/4885TLR7 1000/4885CYP2D6 361/4885
US-11541050-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 KCNH2 4679/4885TLR7 1000/4885CYP2D6 361/4885
US-20210023082-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 KCNH2 4679/4885TLR7 1000/4885CYP2D6 361/4885
US-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 KCNH2 4679/4885TLR7 1000/4885CYP2D6 361/4885
US-20170239245-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 KCNH2 4679/4885TLR7 1000/4885CYP2D6 361/4885

“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.