SCHEMBL703598

SCHEMBL703598

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CONc2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.68
SMN1; SMN2 Q16637 3/20 0.64
ADORA3 P0DMS8 2/20 0.64
ADORA2A P29274 2/20 0.64
ADORA2B P29275 2/20 0.64
DPP4 P27487 1/20 0.64
MEN1 O00255 1/20 0.64
SLC28A1 O00337 1/20 0.64
MAP3K7 O43318 1/20 0.64
SLC28A2 O43868 1/20 0.64
GAPDH P04406 1/20 0.64
MAPK1 P28482 1/20 0.64
STAT6 P42226 1/20 0.64
PI4KA P42356 1/20 0.64
KMT2A Q03164 1/20 0.64
PI4K2B Q8TCG2 1/20 0.64
DOT1L Q8TEK3 1/20 0.64
SLC29A1 Q99808 1/20 0.64
PI4K2A Q9BTU6 1/20 0.64
SLC28A3 Q9HAS3 1/20 0.64

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
SCHEMBL6569310 0.87 ADORA1 (0.73) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL1434032 0.86 ADORA1 (0.72) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL6905464 0.86 ADORA1 (0.72) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL939593 0.86 ADORA1 (0.71) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL8708990 0.86 ADORA1 (0.71) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL6901588 0.85 DOT1L (0.67) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL1723484 0.85 P2RY1 (0.70) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL113535 0.83 P2RY1 (0.73) ADORA1SMN1; SMN2P2RY1P2RY2SRC
SCHEMBL8619727 0.83 ADORA1 (0.69) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL622588 0.83 ADORA1 (0.69) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B

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 51 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
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
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-7345148-B2 Human G-protein coupled receptor, HGPRBMY29sv1 polypeptides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-18 US disclosed
US-20080064094-A1 Polynucleotides encoding two novel human G-protein coupled receptors, HGPRBMY28 and HGPRBMY29, and splice variants thereof BRISTOL-MYERS SQUIBB COMPANY 2008-03-13 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 (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-20080064094-A1 Polynucleotides encoding two novel human G-protein coupled receptors, HGPRBMY28 and HGPRBMY29, and splice variants thereof GIPR, GPR39, MRGPRX2 ADORA1 549/4885SMN1; SMN2 2073/4885ADORA3 263/4885
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 ADORA1 3/4885SMN1; SMN2 4081/4885ADORA3 2/4885
US-20030054374-A1 Polynucleotide encoding a novel human G-protein coupled receptor, HGPRBMY27 GIPR, GPR27, MRGPRX2 ADORA1 854/4885SMN1; SMN2 2643/4885ADORA3 324/4885
US-20120010385-A1 SPLICE VARIANTS OF HUMAN G-PROTEIN COUPLED RECEPTOR HGPRBMY29 (HGPRMBY29SV2) GPR39, GIPR, GPR4 ADORA1 570/4885SMN1; SMN2 1882/4885ADORA3 297/4885
US-20030064381-A1 Polynucleotide encoding a novel human G-protein coupled receptor, HGPRBMY26, expressed highly in testis and gastrointestinal tissues GIPR, GPR180, GPR3 ADORA1 886/4885SMN1; SMN2 2773/4885ADORA3 381/4885

“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.