SCHEMBL5033136

SCHEMBL5033136

NCCn1cnc2c(N)ncnc21

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.73
ADORA1 P30542 5/20 0.73
ADORA2B P29275 1/20 0.73
PI4KA P42356 3/20 0.67
PI4K2B Q8TCG2 3/20 0.67
PI4K2A Q9BTU6 3/20 0.67
PI4KB Q9UBF8 3/20 0.67
NSD3 Q9BZ95 5/20 0.57
NSD2 O96028 4/20 0.57
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ADCY5 O95622 1/20 0.57

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
SCHEMBL11222112 0.91 ADORA2A (0.80) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL67131 0.90 ADORA2A (0.74) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL4906617 0.88 ADORA2A (0.72) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL38913 0.87 ADORA2A (0.70) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL2638103 0.86 ADORA2A (0.73) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL12925855 0.85 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL14037129 0.85 ADORA2A (0.72) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL218588 0.84 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL2638100 0.84 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL15841807 0.84 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501850-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2005-02-02 EP claimed
WO-2003093290-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2003-11-13 WO claimed
US-10077284-B2 UBA5 inhibitors THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2018-09-18 US disclosed
US-20170107247-A1 UBA5 INHIBITORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-04-20 US disclosed
US-20170107247-A1 UBA5 INHIBITORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-04-20 US disclosed
US-20170107247-A1 UBA5 INHIBITORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-04-20 US disclosed
WO-2015179955-A1 UBA5 INHIBITORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-12-03 WO disclosed
WO-2015179955-A1 UBA5 INHIBITORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-12-03 WO disclosed
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 US disclosed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 US disclosed
EP-1268626-B1 POROUS POLYMER VESICLE AND A PROCESS FOR THE PREPARATION THEREOF MIP TECHNOLOGIES AB (SE) 2008-08-20 EP disclosed
EP-1776949-A2 A porous, molecularly imprinted polymer and a process for the preparation thereof MIP Technologies AB (SE) 2007-04-25 EP disclosed
US-20050189291-A1 Porous, molecularly imprinted polymer and a process for the preparation thereof MIP TECHNOLOGIES AB (SE) 2005-09-01 US disclosed
US-6881804-B1 Porous, molecularly imprinted polymer and a process for the preparation thereof MIP TECHNOLOGIES AB (SE) 2005-04-19 US disclosed
EP-1501850-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2005-02-02 EP disclosed
WO-2003093290-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2003-11-13 WO disclosed
EP-1268626-A1 A POROUS, MOLECULARLY IMPRINTED POLYMER AND A PROCESS FOR THE PREPARATION THEREOF MIP Technologies AB (SE) 2003-01-02 EP disclosed
WO-2001032760-A1 A POROUS, MOLECULARLY IMPRINTED POLYMER AND A PROCESS FOR THE PREPARATION THEREOF MIP TECHNOLOGIES AB (SE) 2001-05-10 WO disclosed
US-4230708-A SYNERGISTIC STICHTING REGA V.Z.W. (BE) 1980-10-28 US disclosed
US-3983097-A Method of producing high molecular derivatives OKUBO TSUNEO 1976-09-28 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 (3 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-10077284-B2 UBA5 inhibitors UBQLN2, UBTF, UBQLN1 ADORA2A 4363/4885ADORA1 4523/4885ADORA2B 4493/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS ADORA2A 4792/4885ADORA1 4696/4885ADORA2B 4849/4885
US-20170107247-A1 UBA5 INHIBITORS UBQLN2, UBTF, UBQLN1 ADORA2A 4363/4885ADORA1 4523/4885ADORA2B 4493/4885

“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.