SCHEMBL12393232

SCHEMBL12393232

C#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO)[C@@H](O)[C@@]1(C)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.37
▸ ADORA2A P29274 2/20 0.35
▸ POLRMT O00411 1/20 0.31
▸ ADK P55263 1/20 0.31
▸ DOT1L Q8TEK3 1/20 0.31
▸ PI4KA P42356 1/20 0.31
▸ PI4K2B Q8TCG2 1/20 0.31
▸ PI4K2A Q9BTU6 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31

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
SCHEMBL17117181 0.90 TMPRSS2 (0.42) TMPRSS2ADORA2APOLRMTPI4KAPI4K2B
SCHEMBL17109563 0.90 TMPRSS2 (0.42) TMPRSS2ADORA2APOLRMTPI4KAPI4K2B
SCHEMBL16730747 0.90 TMPRSS2 (0.42) TMPRSS2ADORA2APOLRMTPI4KAPI4K2B
SCHEMBL19644929 0.90 TMPRSS2 (0.42) TMPRSS2ADORA2APOLRMTPI4KAPI4K2B
SCHEMBL10120471 0.90 TMPRSS2 (0.42) TMPRSS2ADORA2APOLRMTPI4KAPI4K2B
SCHEMBL12243239 0.90 TMPRSS2 (0.42) TMPRSS2ADORA2APOLRMTPI4KAPI4K2B
SCHEMBL12393415 0.89 TMPRSS2 (0.35) TMPRSS2
SCHEMBL12243128 0.84 ADORA2A (0.38) TMPRSS2ADORA2APOLRMTPI4KAPI4K2B
SCHEMBL12243240 0.84 ADORA2A (0.38) TMPRSS2ADORA2APOLRMTPI4KAPI4K2B
SCHEMBL16519851 0.84 ADORA2A (0.38) TMPRSS2ADORA2APOLRMTPI4KAPI4K2B

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-RE46762-E1 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC (US) 2018-03-27 — — US disclosed
US-RE46762-E1 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC (US) 2018-03-27 — — US disclosed
EP-2937350-A1 1' -substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2015-10-28 — — EP disclosed
EP-2268642-B1 1' -SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2015-02-25 — — EP disclosed
US-8853171-B2 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2014-10-07 — — US disclosed
US-8853171-B2 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2014-10-07 — — US disclosed
US-20130034521-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2013-02-07 — — US disclosed
US-20130034521-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2013-02-07 — — US disclosed
US-8318682-B2 1′substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-11-27 — — US disclosed
US-8318682-B2 1′substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-11-27 — — US disclosed
US-8008264-B2 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-08-30 — — US disclosed
US-8008264-B2 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-08-30 — — US disclosed
US-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-01-28 — — US disclosed
US-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-01-28 — — US disclosed
WO-2009132135-A1 1' -SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2009-10-29 — — 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 (2 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-20130034521-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, MTAP, SLC29A1 TMPRSS2 1945/4885ADORA2A 93/4885POLRMT 263/4885
US-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, MTAP, SLC29A1 TMPRSS2 1945/4885ADORA2A 93/4885POLRMT 263/4885

“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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