SCHEMBL558917

SCHEMBL558917

CC(C)(C)[Si](C)(C)Oc1cccc(CCl)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA9 Q16790 4/20 0.41
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
TAAR1 Q96RJ0 3/20 0.37
TTR P02766 1/20 0.36
PREP P48147 2/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LPO P22079 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL29975825 0.85 CA12 (0.42) CA12CA1CA9IDO1AGXT
SCHEMBL378877 0.85 CA12 (0.42) CA12CA1CA9IDO1AGXT
SCHEMBL14382682 0.85 CA12 (0.42) CA12CA1CA9IDO1AGXT
SCHEMBL3866939 0.83 MAOB (0.43) CA12CA1CA9IDO1AGXT
SCHEMBL559965 0.83 KDR (0.41) CA12CA1CA9IDO1AGXT
SCHEMBL29851528 0.83 KDR (0.41) CA12CA1CA9IDO1AGXT
SCHEMBL4327915 0.83 CA12 (0.44) CA12CA1CA9IDO1AGXT
SCHEMBL560418 0.83 CA12 (0.38) CA12CA1CA9IDO1AGXT
SCHEMBL19745618 0.82 CA12 (0.40) CA12CA1CA9IDO1AGXT
SCHEMBL7706827 0.82 CA1 (0.50) CA12CA1CA9HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10822349-B2 Macrocyclic purines for the treatment of viral infections Janssen Sciences Ireland Unlimited Company (IE) 2020-11-03 US disclosed
US-20190330234-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2019-10-31 US disclosed
US-10280180-B2 Macrocyclic purines for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2019-05-07 US disclosed
US-9645128-B2 Substituted imidazo[1,2-A]pyrazines for measuring a transcription activity JNC CORPORATION (JP) 2017-05-09 US disclosed
US-9645128-B2 Substituted imidazo[1,2-A]pyrazines for measuring a transcription activity JNC CORPORATION (JP) 2017-05-09 US disclosed
US-20150344936-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-12-03 US disclosed
US-20150344936-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-12-03 US disclosed
US-20150299221-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland Unlimited Company (IE) 2015-10-22 US disclosed
US-9151739-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2015-10-06 US disclosed
US-9151739-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2015-10-06 US disclosed
US-20140296521-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF JNC CORP (JP) 2014-10-02 US disclosed
US-20140296521-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF JNC CORP (JP) 2014-10-02 US disclosed
US-8765921-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2014-07-01 US disclosed
US-8765921-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2014-07-01 US disclosed
US-20140024058-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2014-01-23 US disclosed
US-20140024058-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2014-01-23 US disclosed
US-8546568-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2013-10-01 US disclosed
US-8546568-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2013-10-01 US disclosed
US-20120035070-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-02-09 US disclosed
US-20120035070-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-02-09 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 (6 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-20190330234-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, HPRT1, UMPS CA12 4782/4885CA1 4858/4885CA9 4649/4885
US-20140296521-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF GLB1, CEL, SI CA12 353/4885CA1 1491/4885CA9 562/4885
US-10280180-B2 Macrocyclic purines for the treatment of viral infections PNP, HPRT1, UMPS CA12 4782/4885CA1 4858/4885CA9 4649/4885
US-20120035070-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF GLB1, CEL, SI CA12 353/4885CA1 1491/4885CA9 562/4885
US-20150299221-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, HPRT1, UMPS CA12 4782/4885CA1 4858/4885CA9 4649/4885
US-10822349-B2 Macrocyclic purines for the treatment of viral infections PNP, HPRT1, UMPS CA12 4782/4885CA1 4858/4885CA9 4649/4885

“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.