SCHEMBL703597

SCHEMBL703597

Nc1ncnc2c1ncn2[C@]1(Nc2ccccc2)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.46
ADORA2A P29274 4/20 0.46
PI4KA P42356 2/20 0.46
PI4K2B Q8TCG2 2/20 0.46
PI4K2A Q9BTU6 2/20 0.46
PI4KB Q9UBF8 2/20 0.46
SLC28A1 O00337 2/20 0.46
MEN1 O00255 2/20 0.46
ADORA2B P29275 2/20 0.46
KMT2A Q03164 2/20 0.46
DPP4 P27487 1/20 0.46
MAP3K7 O43318 1/20 0.46
SLC28A2 O43868 1/20 0.46
GAPDH P04406 1/20 0.46
MAPK1 P28482 1/20 0.46
ADORA1 P30542 1/20 0.46
STAT6 P42226 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DOT1L Q8TEK3 1/20 0.46
SLC29A1 Q99808 1/20 0.46

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
SCHEMBL30666098 0.90 ADORA3 (0.43) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL6569314 0.86 ADORA3 (0.52) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL939590 0.85 ADORA3 (0.54) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL10441571 0.84 ADORA3 (0.50) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL1723481 0.84 ADORA3 (0.47) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL29982099 0.83 ADORA3 (0.44) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL30198845 0.82 ADORA3 (0.50) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL28715703 0.82 ADORA3 (0.50) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL1434028 0.81 ADORA3 (0.49) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL4650244 0.81 ADORA3 (0.47) ADORA3ADORA2API4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007090553-A2 COMPOUNDS USEFUL AS AGONISTS OF A2A ADENOSINE RECEPTORS, COSMETIC COMPOSITIONS WITH A2A AGONISTS AND A METHOD FOR USING THE SAME UNILEVER PLC (GB) 2007-08-16 WO claimed
US-20070183995-A1 Compounds useful as agonists of A2A adenosine receptors, cosmetic compositions with A2A agonists and a method for using the same CONOPCO, INC., D/B/A UNILEVER 2007-08-09 US claimed
WO-1994023723-A1 ADENOSINE RECEPTOR AGONISTS FOR THE PROMOTION OF WOUND HEALING NEW YORK UNIVERSITY (US) 1994-10-27 WO claimed
CN-101378725-B Is suitable for use as A2AAdenosine receptor agonist compounds containing A2ACosmetic compositions of agonists and methods of use thereof UNILEVER NV 2014-03-12 CN disclosed
US-8124729-B2 Splice variants of human G-protein coupled receptor HGPRBMY29 (HGPRMBY29SV2) BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 US disclosed
US-20120010385-A1 SPLICE VARIANTS OF HUMAN G-PROTEIN COUPLED RECEPTOR HGPRBMY29 (HGPRMBY29SV2) BRISTOL-MYERS SQUIBB COMPANY 2012-01-12 US disclosed
US-7713699-B2 Methods of diagnosing colon adenocarcinoma using mRNA encoding the human g-protein coupled receptor, HGPRBMY23 BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-11 US disclosed
US-7635758-B2 Antibodies directed to G-protein coupled receptor HGPRBMY29sv1 BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-22 US disclosed
CN-101378725-A Is suitable for use as A2AAdenosine receptor agonist compounds containing A2ACosmetic compositions of agonists and methods of use thereof UNILEVER PLC (NL) 2009-03-04 CN disclosed
US-20080213918-A1 Polynucleotides encoding two novel human G-protein coupled receptors, HGPRBMY28 and HGPRBMY29, and splice variants thereof BRISTOL-MYERS SQUIBB COMPANY 2008-09-04 US disclosed
US-7417121-B2 Human G-protein coupled receptor, HGPRBMY39 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-20030064381-A1 Polynucleotide encoding a novel human G-protein coupled receptor, HGPRBMY26, expressed highly in testis and gastrointestinal tissues BRISTOL-MYERS SQUIBB COMPANY 2003-04-03 US disclosed
US-20030060409-A1 Polynucleotide encoding a novel human G-protein coupled receptor, HGPRBMY25, expressed highly in immune-related tissues BRISTOL-MYERS SQUIBB COMPANY 2003-03-27 US disclosed
US-20030054374-A1 Polynucleotide encoding a novel human G-protein coupled receptor, HGPRBMY27 BRISTOL-MYERS SQUIBB COMPANY 2003-03-20 US disclosed
WO-2003023007-A2 POLYNUCLEOTIDE ENCODING A NOVEL HUMAN G-PROTEIN COUPLED RECEPTOR, HGPRBMY39 BRISTOL-MYERS SQUIBB COMPANY (US) 2003-03-20 WO disclosed
WO-2002096946-A1 POLYNUCLEOTIDE ENCODING A NOVEL HUMAN G-PROTEIN COUPLED RECEPTOR, HGPRBMY30 BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed
WO-2002086123-A2 A HUMAN G-PROTEIN COUPLED RECEPTOR, HGPRBMY11, EXPRESSED HIGHLY IN HEART AND VARIANTS THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-31 WO disclosed
WO-2002083856-A2 POLYNUCLEOTIDES ENCODING TWO NOVEL HUMAN G-PROTEIN COUPLED RECEPTORS, HGPRBMY28 AND HGPRBMY29, AND SPLICE VARIANTS THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-24 WO disclosed
WO-2002072755-A2 POLYNUCLEOTIDE ENCODING A NOVEL HUMAN G-PROTEIN COUPLED RECEPTOR, HGPRBMY27 BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-19 WO disclosed
WO-2002046414-A2 HUMAN G-PROTEIN COUPLED RECEPTOR EXPRESSED HIGHLY IN KIDNEY BRISTOL-MYERS SQUIBB COMPANY (US) 2002-06-13 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 (4 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-20070183995-A1 Compounds useful as agonists of A2A adenosine receptors, cosmetic compositions with A2A agonists and a method for using the same ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA2A 1/4885PI4KA 2506/4885
US-20030054374-A1 Polynucleotide encoding a novel human G-protein coupled receptor, HGPRBMY27 GIPR, GPR27, MRGPRX2 ADORA3 324/4885ADORA2A 948/4885PI4KA 2562/4885
US-20120010385-A1 SPLICE VARIANTS OF HUMAN G-PROTEIN COUPLED RECEPTOR HGPRBMY29 (HGPRMBY29SV2) GPR39, GIPR, GPR4 ADORA3 297/4885ADORA2A 584/4885PI4KA 2216/4885
US-20030064381-A1 Polynucleotide encoding a novel human G-protein coupled receptor, HGPRBMY26, expressed highly in testis and gastrointestinal tissues GIPR, GPR180, GPR3 ADORA3 381/4885ADORA2A 1065/4885PI4KA 3214/4885

“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.