SCHEMBL3490789

SCHEMBL3490789

CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)C(O)C3O)c2n1

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 6/20 0.86
ENPP1 P22413 4/20 0.86
P2RY12 Q9H244 2/20 0.86
P2RY11 Q96G91 3/20 0.85
P2RX1 P51575 1/20 0.85
P2RX3 P56373 1/20 0.85
P2RY6 Q15077 1/20 0.85
P2RX4 Q99571 1/20 0.85
BLM P54132 2/20 0.79
LMNA P02545 1/20 0.79
KMT2A Q03164 1/20 0.79
NPSR1 Q6W5P4 1/20 0.79
PMP22 Q01453 1/20 0.77
CYP2C19 P33261 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
SCHEMBL2527383 1.00 P2RY1 (0.86) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL8862410 1.00 P2RY1 (0.86) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL16700299 0.96 P2RY1 (0.80) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL195864 0.93 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL18089710 0.93 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL195865 0.93 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL12216627 0.93 P2RY1 (0.95) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL2463601 0.93 P2RY1 (0.81) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL29381860 0.92 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL10120953 0.92 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299097-B2 Methods for treating inflammatory disorders THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-10-30 US disclosed
US-20100081684-A1 METHODS FOR TREATING INFLAMMATORY DISORDERS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2010-04-01 US disclosed
US-7405051-B2 Method of screening antiplatelet agents ASTELLAS PHARMA INC. (JP) 2008-07-29 US disclosed
EP-1331228-B1 METHOD OF SCREENING ANTIPLATELET ASTELLAS PHARMA INC (JP) 2007-03-21 EP disclosed
EP-1331228-A1 METHOD OF SCREENING ANTIPLATELET YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-07-30 EP disclosed
US-20030124626-A1 Method of screening antiplatelet ASTELLAS PHARMA INC. (JP) 2003-07-03 US disclosed
US-6562514-B1 Stabilized vanadium electrolyte solutions for all-vanadium redox cells and batteries PINNACLE VRB LIMITED (AU) 2003-05-13 US disclosed
US-6468688-B2 CHARGING, DISCHARGING EFFICIENCY; VANADIUM ELECTROLYTE PINNACLE VRB LIMITED (AU) 2002-10-22 US disclosed
US-20010028977-A1 Charging, discharging efficiency; vanadium electrolyte JD HOLDING INC. (KY) 2001-10-11 US disclosed
US-6143443-A ALL-VANADIUM REDOX BATTERY, COMPRISING THE STABILIZED ELECTROLYTE PINNACLE ARB LIMITED (AU) 2000-11-07 US disclosed
EP-0729648-A4 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LTD (AU) 1997-01-02 EP disclosed
WO-1996035239-A1 HIGH ENERGY DENSITY VANADIUM ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND ALL-VANADIUM REDOX CELLS AND BATTERIES CONTAINING HIGH ENERGY VANADIUM ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1996-11-07 WO disclosed
EP-0729648-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1996-09-04 EP disclosed
EP-0683789-A1 N-ALKYL-2-SUBSTITUTED ATP ANALOGUES Astra Pharmaceuticals Limited (GB) 1995-11-29 EP disclosed
EP-0508687-B1 ATP analogues FISONS PLC (GB) 1995-09-13 EP disclosed
WO-1995012219-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1995-05-04 WO disclosed
WO-1994018216-A1 N-ALKYL-2-SUBSTITUTED ATP ANALOGUES ASTRA PHARMACEUTICALS LIMITED (GB) 1994-08-18 WO disclosed
EP-0579643-A1 ATP ANALOGUES FISONS plc (GB) 1994-01-26 EP disclosed
WO-1992017488-A1 ATP ANALOGUES FISONS PLC (GB) 1992-10-15 WO disclosed
EP-0508687-A1 ATP analogues Astra Pharmaceuticals Limited (GB) 1992-10-14 EP 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-20100081684-A1 METHODS FOR TREATING INFLAMMATORY DISORDERS LTB4R2, LTB4R, LTC4S P2RY1 108/4885ENPP1 542/4885P2RY12 109/4885

“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.