SCHEMBL13195708

SCHEMBL13195708

CCC[C@@H](CO)Nc1nc(N)ncc1OCCCc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ TLR7 Q9NYK1 12/20 0.45
▸ TLR8 Q9NR97 9/20 0.45
▸ KCNH2 Q12809 2/20 0.42

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
SCHEMBL20413304 1.00 CYP2D6 (0.46) CYP2D6DRD1HTR2AADORA1TLR7
SCHEMBL20386625 1.00 CYP2D6 (0.46) CYP2D6DRD1HTR2AADORA1TLR7
SCHEMBL15470170 0.95 KCNH2 (0.48) CYP2D6DRD1HTR2AADORA1TLR7
SCHEMBL20386633 0.95 KCNH2 (0.48) CYP2D6DRD1HTR2AADORA1TLR7
SCHEMBL15470226 0.93 CYP2D6 (0.54) CYP2D6DRD1HTR2AADORA1TLR7
SCHEMBL20219519 0.93 CYP2D6 (0.54) CYP2D6DRD1HTR2AADORA1TLR7
SCHEMBL20418745 0.93 KCNH2 (0.41) CYP2D6DRD1HTR2AADORA1TLR7
SCHEMBL20219651 0.90 CYP2D6 (0.43) CYP2D6DRD1HTR2AADORA1TLR7
SCHEMBL15470008 0.89 TLR8 (0.49) TLR7TLR8KCNH2
SCHEMBL20219323 0.89 TLR8 (0.49) TLR7TLR8KCNH2

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
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 CYP2D6 361/4885DRD1 3745/4885HTR2A 3972/4885
US-20200061059-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 CYP2D6 361/4885DRD1 3745/4885HTR2A 3972/4885
US-10420767-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 CYP2D6 361/4885DRD1 3745/4885HTR2A 3972/4885
US-20140045849-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 CYP2D6 361/4885DRD1 3745/4885HTR2A 3972/4885
US-10272085-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 CYP2D6 361/4885DRD1 3745/4885HTR2A 3972/4885
US-11541050-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 CYP2D6 361/4885DRD1 3745/4885HTR2A 3972/4885
US-20210023082-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 CYP2D6 361/4885DRD1 3745/4885HTR2A 3972/4885
US-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 CYP2D6 361/4885DRD1 3745/4885HTR2A 3972/4885
US-20170239245-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 CYP2D6 361/4885DRD1 3745/4885HTR2A 3972/4885

“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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