SCHEMBL375602

SCHEMBL375602

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 6/20 1.00
ENPP1 P22413 4/20 1.00
P2RY11 Q96G91 3/20 1.00
P2RX3 P56373 2/20 1.00
P2RX1 P51575 1/20 1.00
P2RY6 Q15077 1/20 1.00
P2RX4 Q99571 1/20 1.00
P2RY12 Q9H244 3/20 0.98
LMNA P02545 1/20 0.76
BLM P54132 1/20 0.76
KMT2A Q03164 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76

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
SCHEMBL29381860 1.00 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX3P2RX1
SCHEMBL375601 1.00 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX3P2RX1
SCHEMBL10120953 1.00 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX3P2RX1
SCHEMBL18089710 0.99 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX3P2RX1
SCHEMBL195864 0.99 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX3P2RX1
SCHEMBL195865 0.99 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX3P2RX1
SCHEMBL12216627 0.97 P2RY1 (0.95) P2RY1ENPP1P2RY11P2RX3P2RX1
SCHEMBL18089797 0.94 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX3P2RX1
SCHEMBL18089712 0.93 P2RY1 (0.89) P2RY1ENPP1P2RY11P2RX3P2RX1
SCHEMBL8862410 0.92 P2RY1 (0.86) P2RY1ENPP1P2RY11P2RX3P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960131-B2 Functional genomic pore assay for mixed cell populations WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-06-14 US claimed
US-7560243-B2 White blood cell functional assay WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-07-14 US claimed
US-20090053204-A1 Functional Genomic Pore Assay For Mixed Cell Populations WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-02-26 US claimed
WO-2005079250-A2 PURINES ARE SELF-RENEWAL SIGNALS FOR NEURAL STEM CELLS, AND PURINE RECEPTOR ANTAGONISTS PROMOTE NEURONAL AND GLIAL DIFFERENTIATION THEREFROM CORNELL RESEARCH FOUNDATION, INC. (US) 2005-09-01 WO claimed
US-20050181503-A1 Purines are self-renewal signals for neural stem cells, and purine receptor antagonists promote neuronal and glial differentiation therefrom NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-08-18 US claimed
US-20050053612-A1 Nucleotide regulation of immune responses NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-03-10 US claimed
US-20040253650-A1 White blood cell functional assay WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-12-16 US claimed
US-20030059878-A1 Novel purinoceptor and gene thereof TANABE SEIYAKU CO., LTD (JP) 2003-03-27 US claimed
CN-107029237-B Application of thermogenesis enhancing compound in enhancing thermogenesis of noradrenaline compound induced brown fat cells 康建胜 2021-06-25 CN disclosed
EP-2049127-B1 N-METHANOCARBA DERIVATIVES TO TREAT CARDIAC DISEASES UNIV CONNECTICUT (US) 2014-11-26 EP disclosed
WO-2014170343-A1 DEPOLARIZING AGENTS AND NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS FOR TREATING DOPAMINERGIC-RELATED DISORDERS ICM (INSTITUT DU CERVEAU ET DE LA MOELLE ÉPINIÈRE) (FR) 2014-10-23 WO disclosed
US-8410078-B2 Composition and methods to treat cardiac diseases UNIVERSITY OF CONNECTICUT (US) 2013-04-02 US disclosed
EP-2410332-A1 Method for identifying purinergic modulators of the olfactory system The University Of Utah (US) 2012-01-25 EP disclosed
EP-1624753-B1 PURINERGIC MODULATION OF SMELL UNIV UTAH RES FOUND (US) 2012-01-25 EP disclosed
WO-2005079250-A2 PURINES ARE SELF-RENEWAL SIGNALS FOR NEURAL STEM CELLS, AND PURINE RECEPTOR ANTAGONISTS PROMOTE NEURONAL AND GLIAL DIFFERENTIATION THEREFROM CORNELL RESEARCH FOUNDATION, INC. (US) 2005-09-01 WO disclosed
US-20050181503-A1 Purines are self-renewal signals for neural stem cells, and purine receptor antagonists promote neuronal and glial differentiation therefrom NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-08-18 US disclosed
US-20050053612-A1 Nucleotide regulation of immune responses NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-03-10 US disclosed
US-20040253650-A1 White blood cell functional assay WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-12-16 US disclosed
US-20030059878-A1 Novel purinoceptor and gene thereof TANABE SEIYAKU CO., LTD (JP) 2003-03-27 US disclosed
WO-1999043326-A1 USE OF A CARDIAC PURINOCEPTOR TO EFFECT CELLULAR GLUCOSE UPTAKE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1999-09-02 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 (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-20050053612-A1 Nucleotide regulation of immune responses NT5C2, ENTPD5, ENTPD1 P2RY1 7/4885ENPP1 44/4885P2RY11 29/4885

“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.