SCHEMBL622623

SCHEMBL622623

O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 11/20 0.77
P2RY1 P47900 4/20 0.77
TAS1R3 Q7RTX0 3/20 0.77
TAS1R1 Q7RTX1 3/20 0.77
P2RY2 P41231 3/20 0.77
SRC P12931 2/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
PRKAB2 O43741 1/20 0.77
TRPM2 O94759 1/20 0.77
LDHA P00338 1/20 0.77
ADRB2 P07550 1/20 0.77
FBP1 P09467 1/20 0.77
ADORA1 P30542 1/20 0.77
PRKAG1 P54619 1/20 0.77
PRKAA2 P54646 1/20 0.77
PDE4D Q08499 1/20 0.77
KCNH2 Q12809 1/20 0.77
PRKAA1 Q13131 1/20 0.77
PDE3A Q14432 1/20 0.77
P2RY11 Q96G91 1/20 0.77

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
SCHEMBL20277501 1.00 DNPH1 (0.77) DNPH1P2RY1TAS1R3TAS1R1P2RY2
SCHEMBL20282659 1.00 DNPH1 (0.77) DNPH1P2RY1TAS1R3TAS1R1P2RY2
SCHEMBL20277541 1.00 DNPH1 (0.77) DNPH1P2RY1TAS1R3TAS1R1P2RY2
SCHEMBL4823181 0.92 P2RX3 (0.72) DNPH1P2RY1TAS1R3TAS1R1P2RY2
SCHEMBL16247706 0.91 P2RY1 (0.74) DNPH1P2RY1TAS1R3TAS1R1P2RY2
SCHEMBL1980912 0.91 P2RY1 (0.74) DNPH1P2RY1TAS1R3TAS1R1P2RY2
SCHEMBL20673348 0.91 P2RY1 (0.74) DNPH1P2RY1TAS1R3TAS1R1P2RY2
SCHEMBL6375079 0.91 ADORA1 (0.68) DNPH1P2RY1TAS1R3TAS1R1P2RY2
SCHEMBL15084468 0.90 P2RY1 (0.67) DNPH1P2RY1TAS1R3TAS1R1P2RY2
SCHEMBL20277380 0.89 P2RY1 (0.64) DNPH1P2RY1TAS1R3TAS1R1P2RY2

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
US-4826824-A Method of enhancing the taste perception of sweetness of aspartame and derivatives thereof DUKE UNIVERSITY (US) 1989-05-02 US claimed
US-20170136131-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF Modema Therapeutics, Inc. (US) 2017-05-18 US disclosed
US-20160354490-A1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS INC (US) 2016-12-08 US disclosed
US-9290791-B2 Reagents and methods for sirtuin capture CORNELL UNIVERSITY (US) 2016-03-22 US disclosed
US-20150307542-A1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF MODERNATX, INC. 2015-10-29 US disclosed
US-9073961-B2 Substitution derivatives of N6 -benzyladenosine-5′-monophosphate, methods of preparation thereof, use thereof as medicaments, and therapeutic preparations containing these compounds UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2015-07-07 US disclosed
EP-2563801-B1 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5´-MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATION CONTAINING THESE COMPOUNDS Univerzita Palackého v Olomouci (CZ) 2014-09-24 EP disclosed
US-20140107189-A1 MODIFIED POLYNUCLEOTIDES ENCODING APOPTOSIS INDUCING FACTOR 1 MODERNA THERAPEUTICS, INC. (US) 2014-04-17 US disclosed
US-20130266640-A1 MODIFIED NUCLEOSIDE, NUCLEOTIDE, AND NUCLEIC ACID COMPOSITIONS MODERNA THERAPEUTICS, INC. 2013-10-10 US disclosed
US-20130065248-A1 REAGENTS AND METHODS FOR SIRTUIN CAPTURE CORNELL UNIVERSITY (US) 2013-03-14 US disclosed
US-20130040908-A1 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5' -MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATIONS CONTAINING THESE COMPOUNDS BIOAPEX, S.R.O. (CZ) 2013-02-14 US disclosed
WO-2011134444-A9 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5´-MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATION CONTAINING THESE COMPOUNDS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2012-02-16 WO disclosed
WO-2011146636-A2 REAGENTS AND METHODS FOR SIRTUIN CAPTURE CORNELL UNIVERSITY (US) 2011-11-24 WO disclosed
WO-2011134444-A2 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5´-MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATION CONTAINING THESE COMPOUNDS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2011-11-03 WO disclosed
US-7323319-B2 RNA containing coenzymes, biotin, or fluorophores, and methods for their preparation and use THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2008-01-29 US disclosed
US-20040241649-A1 RNA CONTAINING COENZYMES, BIOTIN, OR FLUOROPHORES, AND METHODS FOR THEIR PREPARATION AND USE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2004-12-02 US disclosed
US-4826824-A Method of enhancing the taste perception of sweetness of aspartame and derivatives thereof DUKE UNIVERSITY (US) 1989-05-02 US disclosed
EP-0061001-A1 Antiallergic agent comprising derivatives of adenosine Yamasa Shoyu Kabushiki Kaisha (JP) 1982-09-29 EP disclosed
US-4318981-A Homogeneous specific binding assay employing an intramolecularly modulated photogenic enzyme substrate label MILES LABORATORIES, INC. (US) 1982-03-09 US disclosed
US-4255566-A N6-(OMEGA-AMINOALKYL)ADENINE DINUCLEOTIDE DERIVATIVES; IMMUNOASSAY MILES LABORATORIES (US) 1981-03-10 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 (7 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-20160354490-A1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, ADAR, NSUN3 DNPH1 1736/4885P2RY1 2661/4885TAS1R3 1881/4885
US-20130040908-A1 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5' -MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATIONS CONTAINING THESE COMPOUNDS MTAP, RNMT, NUDT1 DNPH1 1012/4885P2RY1 160/4885TAS1R3 3938/4885
US-20130266640-A1 MODIFIED NUCLEOSIDE, NUCLEOTIDE, AND NUCLEIC ACID COMPOSITIONS NSUN2, RNMT, NSUN3 DNPH1 1229/4885P2RY1 1175/4885TAS1R3 4333/4885
US-20170136131-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, RNGTT, NSUN3 DNPH1 2277/4885P2RY1 2929/4885TAS1R3 2041/4885
US-20150307542-A1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, ADAR, NSUN3 DNPH1 1736/4885P2RY1 2661/4885TAS1R3 1881/4885
US-20130065248-A1 REAGENTS AND METHODS FOR SIRTUIN CAPTURE SIRT3, SIRT1, SIRT2 DNPH1 832/4885P2RY1 3963/4885TAS1R3 3104/4885
US-20140107189-A1 MODIFIED POLYNUCLEOTIDES ENCODING APOPTOSIS INDUCING FACTOR 1 MSH2, APAF1, MCL1 DNPH1 3739/4885P2RY1 2770/4885TAS1R3 2745/4885

“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.