SCHEMBL216645

SCHEMBL216645

NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.70
P2RX2 Q9UBL9 2/20 0.70
DNPH1 O43598 5/20 0.69
TAS1R3 Q7RTX0 2/20 0.69
TAS1R1 Q7RTX1 2/20 0.69
ADORA1 P30542 2/20 0.67
P2RY1 P47900 2/20 0.67
PRKAB2 O43741 1/20 0.67
TRPM2 O94759 1/20 0.67
LDHA P00338 1/20 0.67
ADRB2 P07550 1/20 0.67
FBP1 P09467 1/20 0.67
SRC P12931 1/20 0.67
P2RY2 P41231 1/20 0.67
PRKAG1 P54619 1/20 0.67
PRKAA2 P54646 1/20 0.67
PDE4D Q08499 1/20 0.67
KCNH2 Q12809 1/20 0.67
PRKAA1 Q13131 1/20 0.67
PDE3A Q14432 1/20 0.67

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
SCHEMBL4820076 0.99 P2RX3 (0.71) P2RX3P2RX2DNPH1TAS1R3TAS1R1
SCHEMBL20705924 0.96 P2RX3 (0.72) P2RX3P2RX2DNPH1TAS1R3TAS1R1
SCHEMBL25698378 0.96 P2RX3 (0.72) P2RX3P2RX2DNPH1TAS1R3TAS1R1
SCHEMBL4820592 0.93 DNPH1 (0.73) P2RX3P2RX2DNPH1TAS1R3TAS1R1
SCHEMBL4217929 0.93 P2RX3 (0.82) P2RX3P2RX2DNPH1TAS1R3TAS1R1
SCHEMBL30853828 0.93 P2RX3 (0.82) P2RX3P2RX2DNPH1TAS1R3TAS1R1
SCHEMBL8738522 0.93 P2RX3 (0.82) P2RX3P2RX2DNPH1TAS1R3TAS1R1
SCHEMBL15305350 0.93 P2RX3 (0.67) P2RX3P2RX2DNPH1TAS1R3TAS1R1
SCHEMBL14946186 0.92 TAS1R3 (0.65) P2RX3P2RX2DNPH1TAS1R3TAS1R1
SCHEMBL216009 0.92 P2RX3 (0.60) P2RX3P2RX2DNPH1TAS1R3TAS1R1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20260055151-A1 ANTIMICROBIAL KINOCIDIN COMPOSITIONS AND METHODS OF USE LUNDQUIST INST FOR BIOMEDICAL INNOVATION AT HARBOR UCLA MEDICAL CENTER (US) 2026-02-26 US disclosed
US-20230192792-A1 ANTIMICROBIAL KINOCIDIN COMPOSITIONS AND METHODS OF USE LUNDQUIST INST FOR BIOMEDICAL INNOVATION AT HARBOR UCLA MEDICAL CENTER (US) 2023-06-22 US disclosed
US-20230055379-A1 ANTIMICROBIAL KINOCIDIN COMPOSITIONS AND METHODS OF USE LUNDQUIST INST FOR BIOMEDICAL INNOVATION AT HARBOR UCLA MEDICAL CENTER (US) 2023-02-23 US disclosed
US-8088897-B2 Detecting the activity of and screening acceptor substrates, inhibitors, or activators of enzymes catalyzing group transfer reactions to facilitate the development of more selective and therapeutic drugs BellBrook Labs, Inc. (US) 2012-01-03 US disclosed
US-7579162-B2 Method of detection in homogeneous phase, especially of progesterone in mammals' milk, and corresponding kit CEVA SANTE ANIMALE (FR) 2009-08-25 US disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-20080233592-A1 Assay Method for Group Transfer Reactions BELLBROOK LABS, LLC 2008-09-25 US disclosed
US-7378505-B2 Assay method for group transfer reactions BELLBROOK LABS LLC (US) 2008-05-27 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
EP-1915619-A2 METHOD FOR CARRYING OUT HOMOGENEOUS PHASE DETECTION, IN PARTICULAR, FOR DETECTING THE PROGESTERONE IN THE MILK OF A MAMMAL AND CORRESPONDING KIT CEVA SANTE ANIMALE (FR) 2008-04-30 EP 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
WO-2007020357-A2 METHOD FOR CARRYING OUT HOMOGENEOUS PHASE DETECTION, IN PARTICULAR, FOR DETECTING THE PROGESTERONE IN THE MILK OF A MAMMAL AND CORRESPONDING KIT CEVA SANTE ANIMALE (FR) 2007-02-22 WO disclosed
US-20070042449-A1 Method of detection in homogeneous phase, especially of progesterone in mammals' milk, and corresponding kit CEVA SANTE ANIMALE (FR) 2007-02-22 US disclosed
US-20060172335-A1 Assay method for group transfer reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-03 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20260055151-A1 ANTIMICROBIAL KINOCIDIN COMPOSITIONS AND METHODS OF USE CCL5, PRKCZ, VIP P2RX3 945/4885P2RX2 1411/4885DNPH1 4607/4885
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R P2RX3 344/4885P2RX2 262/4885DNPH1 4631/4885

“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.