SCHEMBL15045890

SCHEMBL15045890

CCO[C@H](C)Cn1cnc2c(N)ncnc21

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.70
ADORA2A P29274 5/20 0.66
ADORA1 P30542 3/20 0.66
PI4KA P42356 2/20 0.61
PI4K2B Q8TCG2 2/20 0.61
PI4K2A Q9BTU6 2/20 0.61
PI4KB Q9UBF8 2/20 0.61
CYP2D6 P10635 7/20 0.59
ADORA2B P29275 1/20 0.58
AHCY P23526 2/20 0.57
FAP Q12884 1/20 0.55
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL608687 0.88 CYP3A4 (0.68) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL15257613 0.88 CYP3A4 (0.68) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL3305032 0.88 CYP3A4 (0.68) CYP3A4ADORA2AADORA1PI4KAPI4K2B
Water SCHEMBL28104561 0.86 CYP3A4 (0.67) CYP3A4ADORA2AADORA1PI4KAPI4K2B
Water SCHEMBL28104578 0.86 CYP3A4 (0.67) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL28062940 0.86 CYP3A4 (0.60) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL18543643 0.86 CYP3A4 (0.63) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL18543642 0.86 CYP3A4 (0.63) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL10015788 0.86 ADORA2A (0.69) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL1249908 0.86 ADORA2A (0.69) CYP3A4ADORA2AADORA1PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159574-A1 BENZYLOXY PHOSPH(ON)ATE COMPOUNDS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2023-05-25 US disclosed
WO-2021034804-A1 PHARMACEUTICAL FORMULATIONS OF TENOFOVIR ALAFENAMIDE GILEAD SCIENCES, INC. (US) 2021-02-25 WO disclosed
WO-2020018399-A1 PHOSPHINIC AMIDE PRODRUGS OF TENOFOVIR MERCK SHARP & DOHME CORP. (US) 2020-01-23 WO disclosed
WO-2018119013-A1 ANTIVIRAL ALIPHATIC ESTER PRODRUGS OF TENOFOVIR MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO disclosed
EP-2928876-B1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS MERCK SHARP & DOHME (US) 2018-01-17 EP disclosed
WO-2017203395-A1 CRYSTALLINE FORMS OF TENOFOVIR ALAFENAMIDE HEMI FUMARATE SHILPA MEDICARE LIMITED (IN) 2017-11-30 WO disclosed
US-9624249-B2 Nucleoside kinase bypass compositions and methods MERCK SHARP & DOHME CORP. (US) 2017-04-18 US disclosed
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-05-12 US disclosed
US-20150315221-A1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS MERCK SHARP & DOHME CORP. (US) 2015-11-05 US disclosed
WO-2015108780-A1 SOLID FORMS OF TENOFOVIR GILEAD SCIENCES, INC. (US) 2015-07-23 WO disclosed
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-09-25 US disclosed
WO-2014088923-A1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS MERCK SHARP & DOHME CORP. (US) 2014-06-12 WO disclosed
US-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-09-19 US disclosed
WO-2013090420-A2 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-06-20 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 (5 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-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 CYP3A4 2263/4885ADORA2A 645/4885ADORA1 1140/4885
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 CYP3A4 2263/4885ADORA2A 645/4885ADORA1 1140/4885
US-20230159574-A1 BENZYLOXY PHOSPH(ON)ATE COMPOUNDS PYGL, GOT2, ALPI CYP3A4 1046/4885ADORA2A 425/4885ADORA1 1154/4885
US-20150315221-A1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS DCK, DTYMK, TK1 CYP3A4 1852/4885ADORA2A 353/4885ADORA1 1092/4885
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 CYP3A4 2263/4885ADORA2A 645/4885ADORA1 1140/4885

“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.