SCHEMBL7263226

SCHEMBL7263226

C[C@@H](O)Cn1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.52
ADORA1 P30542 3/20 0.52
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
P2RY1 P47900 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
EGFR P00533 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 1/20 0.43
TMIGD3 P0DMS9 2/20 0.43
HTT P42858 1/20 0.43
ADORA2B P29275 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7262512 1.00 ADORA2A (0.52) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL7262510 1.00 ADORA2A (0.52) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL16198307 0.88 FLT4 (0.43) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL28948370 0.87 P2RY1 (0.44) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL9193608 0.87 EGFR (0.43) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL26230942 0.86 P2RY1 (0.47) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL20008181 0.86 ADORA2A (0.58) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL26230945 0.86 P2RY1 (0.47) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL28948317 0.85 CYP3A4 (0.46) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL28948290 0.85 FLT4 (0.45) ADORA2AADORA1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462935-B1 Process for the preparation of tenofovir LAURUS LABS PRIVATE LTD (IN) 2015-01-21 EP disclosed
US-8791259-B2 Process for the preparation of Tenofovir LAURUS LABS PRIVATE LIMITED (IN) 2014-07-29 US disclosed
US-20130165413-A1 PROCESS FOR THE PREPARATION OF TENOFOVIR APTUIT LAURUS PRIVATE LIMITED (IN) 2013-06-27 US disclosed
WO-2012081032-A1 PROCESS FOR THE PREPARATION OF TENOFOVIR APTUIT LAURUS PRIVATE LIMITED (IN) 2012-06-21 WO disclosed
EP-2462935-A1 Process for the preparation of tenofovir Laurus Labs Private Limited (IN) 2012-06-13 EP disclosed
US-20080318904-A1 DEUTERIUM-ENRICHED TENOFOVIR PROTIA, LLC (US) 2008-12-25 US disclosed
US-6653296-B1 2-phosphonomethoxypropyl derivatives of purine and pyrimidine bases INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2003-11-25 US disclosed
US-6479673-B1 Antiretroviral enantiomeric nucleotide analogs INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2002-11-12 US disclosed
EP-0654037-B1 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS ACAD OF SCIENCE CZECH REPUBLIC (CZ) 1999-05-12 EP disclosed
EP-0654037-A1 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1995-05-24 EP disclosed
WO-1994003467-A2 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1994-02-17 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-20130165413-A1 PROCESS FOR THE PREPARATION OF TENOFOVIR SAMHD1, TYMP, DCTPP1 ADORA2A 2915/4885ADORA1 1096/4885PDE4A 333/4885
US-20080318904-A1 DEUTERIUM-ENRICHED TENOFOVIR DCTD, SAMHD1, SLC28A1 ADORA2A 1618/4885ADORA1 1617/4885PDE4A 526/4885

“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.