SCHEMBL15469689

SCHEMBL15469689

COc1ccnc(CC(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.59
NOS1 P29475 10/20 0.59
NOS3 P29474 7/20 0.59
CCR1 P32246 1/20 0.52
CCR5 P51681 1/20 0.52
CCR8 P51685 1/20 0.52
CYP2C9 P11712 1/20 0.43
PLAU P00749 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40
HTT P42858 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
SCHEMBL4871525 0.80 NOS3 (0.50) NOS2NOS1NOS3CCR1CCR5
SCHEMBL2760431 0.79 NOS2 (0.65) NOS2NOS1NOS3CCR1CCR5
SCHEMBL19859717 0.77 LNPEP (0.56) ALDH1A1
SCHEMBL30240847 0.77 NOS2 (0.62) NOS2NOS1NOS3CCR1CCR5
SCHEMBL18291870 0.77 NOS2 (0.62) NOS2NOS1NOS3CCR1CCR5
SCHEMBL30164187 0.77 NOS2 (0.62) NOS2NOS1NOS3CCR1CCR5
SCHEMBL1061501 0.77 NOS2 (0.62) NOS2NOS1NOS3CCR1CCR5
SCHEMBL3307860 0.77 NOS2 (0.62) NOS2NOS1NOS3CCR1CCR5
SCHEMBL21847247 0.77 NOS2 (0.62) NOS2NOS1NOS3CCR1CCR5
SCHEMBL7674585 0.77 NOS2 (0.62) NOS2NOS1NOS3CCR1CCR5

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 15 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

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 NOS2 3752/4885NOS1 3702/4885NOS3 3483/4885
US-20200061059-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 NOS2 3752/4885NOS1 3702/4885NOS3 3483/4885
US-10420767-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 NOS2 3752/4885NOS1 3702/4885NOS3 3483/4885
US-20140045849-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 NOS2 3752/4885NOS1 3702/4885NOS3 3483/4885
US-10272085-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 NOS2 3752/4885NOS1 3702/4885NOS3 3483/4885
US-11541050-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 NOS2 3752/4885NOS1 3702/4885NOS3 3483/4885
US-20210023082-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 NOS2 3752/4885NOS1 3702/4885NOS3 3483/4885
US-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 NOS2 3752/4885NOS1 3702/4885NOS3 3483/4885
US-20170239245-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 NOS2 3752/4885NOS1 3702/4885NOS3 3483/4885

“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.