SCHEMBL2117335

SCHEMBL2117335

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(O)C(=O)O)C(O)C1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.68
HIF1A Q16665 1/20 0.68
TMEM97 Q5BJF2 1/20 0.68
SIGMAR1 Q99720 1/20 0.68
ADORA2A P29274 3/20 0.65
ADORA2B P29275 3/20 0.65
HSP90B1 P14625 2/20 0.65
ADORA3 P0DMS8 3/20 0.63
KMT2A Q03164 2/20 0.63
ADORA1 P30542 2/20 0.63
TSHR P16473 1/20 0.63
LMNA P02545 1/20 0.63
THRB P10828 1/20 0.63
BLM P54132 1/20 0.63
HSP90AA1 P07900 1/20 0.63
DPP4 P27487 1/20 0.63
MEN1 O00255 1/20 0.63
SLC28A1 O00337 1/20 0.63
MAP3K7 O43318 1/20 0.63
SLC28A2 O43868 1/20 0.63

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
SCHEMBL29385449 1.00 AHCY (0.68) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL1757011 1.00 AHCY (0.68) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL6902907 0.99 AHCY (0.67) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL6902911 0.99 AHCY (0.67) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL6902895 0.99 AHCY (0.67) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL30139992 0.91 AHCY (0.68) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL4520806 0.91 AHCY (0.68) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL4520798 0.91 AHCY (0.68) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL30139993 0.91 AHCY (0.68) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL5620791 0.90 AHCY (0.58) AHCYHIF1ATMEM97SIGMAR1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4224438-A CARDIOTONIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1980-09-23 US claimed
JP-58167598-A None JP disclosed
JP-58172318-A None JP disclosed
US-9176064-B2 Bisubstrate fluorescent probes for protein kinase CK2 UNIVERSITY OF TARTU (EE) 2015-11-03 US disclosed
US-20140057291-A1 BISUBSTRATE FLUORESCENT PROBES FOR PROTEIN KINASE CK2 UNIVERSITY OF TARTU (EE) 2014-02-27 US disclosed
EP-2700946-A1 Bisubstrate fluorescent probes for protein kinase CK2 University of Tartu (EE) 2014-02-26 EP disclosed
EP-2471803-B1 Compounds that interact with kinases ALCHEMIA LTD (AU) 2013-11-27 EP disclosed
EP-1179050-B1 METHOD FOR THE PURIFICATION OF PROTEIN KINASE BY AFFINITY CHROMATOGRAPHY UNIV TARTU (EE) 2012-12-19 EP disclosed
US-8158376-B2 Bisubstrate fluorescent probe binding to protein kinases UNIVERSITY OF TARTU (EE) 2012-04-17 US disclosed
US-20100233743-A1 BISUBSTRATE FLUORESCENT PROBE BINDING TO PROTEIN KINASES UNIVERSITY OF TARTU (EE) 2010-09-16 US disclosed
JP-S58167598-A ADENOSINE DERIVATIVE AND ITS PREPARATION TANABE SEIYAKU CO LTD 1983-10-03 JP disclosed
US-4385112-A CULTURES, PSEUDOMONAS, QUANTITATIVE NUCLEOSIDE ASSAY, MAKING NUCLEOSIDE-5-CARBOXYLIC ACIDS TOYO JOZO KABUSHIKI KAISHA (JP) 1983-05-24 US disclosed
US-4224438-A CARDIOTONIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1980-09-23 US disclosed
US-4224438-A CARDIOTONIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1980-09-23 US disclosed
US-4167565-A Adenosine-5'-carboxamides and method of use ABBOTT LABORATORIES (US) 1979-09-11 US disclosed
US-4029884-A Adenosine-5'-carboxylic acid amides ABBOTT LABORATORIES (US) 1977-06-14 US disclosed
US-3971849-A 1,N6 -etheno-5'-adenosine carboxylates for increasing coronary sinus partial pressure of oxygen ABBOTT LABORATORIES (US) 1976-07-27 US disclosed
US-3966917-A ADENOSINE-5'-CARBOXAMIDES ABBOTT LABORATORIES (US) 1976-06-29 US disclosed
US-3855204-A PROCESS FOR PREPARING ADENOSINE-5{40 -CARBOXYLIC ACID, ETHYL ESTER ABBOTT LAB 1974-12-17 US disclosed
US-3855205-A PROCESS FOR PREPARING ADENOSINE-5{40 -CARBOXYLATES ABBOTT LAB 1974-12-17 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 (1 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-20100233743-A1 BISUBSTRATE FLUORESCENT PROBE BINDING TO PROTEIN KINASES ADK, PRKCH, DMPK AHCY 1747/4885HIF1A 2475/4885TMEM97 2390/4885

“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.