SCHEMBL314773

SCHEMBL314773

[O]c1ncnc2nccnc12

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.32

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
SCHEMBL28188932 0.70 ADORA2A (0.37) ADORA2A
SCHEMBL2007373 0.70 ADORA2A (0.32) ADORA2A
SCHEMBL4573957 0.70 ADORA2A (0.32) ADORA2A
SCHEMBL8082857 0.70 ADORA2A (0.32) ADORA2A
SCHEMBL4385353 0.70 ADORA2A (0.37) ADORA2A
SCHEMBL314774 0.70 ADORA2A (0.32) ADORA2A
SCHEMBL2007375 0.70 ADORA2A (0.52) ADORA2A
SCHEMBL2013871 0.70
SCHEMBL2013872 0.70 CCR1 (0.33)
Water SCHEMBL28801537 0.69 CCR1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115341-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-08-25 US disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-8093251-B2 Nitrogen-containing heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-20100310536-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2010-12-09 US disclosed
US-20100310535-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-09 US disclosed
US-20100310537-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2010-12-09 US disclosed
US-20100298559-A1 OPTICALLY ACTIVE DINICKEL COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE USING THE OPTICALLY ACTIVE DINICKEL COMPLEX AS CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-25 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
EP-2233561-A1 METHOD FOR AMPLIFICATION OF HEMATOPOIETIC STEM CELL USING HETEROCYCLIC COMPOUND Nissan Chemical Industries, Ltd. (JP) 2010-09-29 EP disclosed
EP-2233468-A1 OPTICALLY ACTIVE DINICKEL COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE USING THE OPTICALLY ACTIVE DINICKEL COMPLEX AS CATALYST Nissan Chemical Industries, Ltd. (JP) 2010-09-29 EP disclosed
EP-2228435-A1 METHOD FOR AMPLIFICATION OF HEMATOPOIETIC STEM CELL USING HETEROCYCLIC COMPOUND Nissan Chemical Industries, Ltd. (JP) 2010-09-15 EP disclosed
EP-2228434-A1 AMPLIFICATION METHOD FOR HEMATOPOIETIC STEM CELLS WITH HETEROCYCLIC COMPOUND Nissan Chemical Industries, Ltd. (JP) 2010-09-15 EP disclosed
EP-2203429-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS Nissan Chemical Industries, Ltd. (JP) 2010-07-07 EP disclosed
US-20090198060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-06 US disclosed
WO-2009057827-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-07 WO disclosed
EP-2025671-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2009-02-18 EP disclosed
CN-1798739-A 3-alkylidenehydrazino substituted heteroaryl compounds as thrombopoietin receptor activators NISSAN CHEMICAL IND LTD (JP) 2006-07-05 CN 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 (6 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-20100310535-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, CD44, NES ADORA2A 3504/4885
US-20100298559-A1 OPTICALLY ACTIVE DINICKEL COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE USING THE OPTICALLY ACTIVE DINICKEL COMPLEX AS CATALYST C5, C9, CCNE1 ADORA2A 1530/4885
US-20100310536-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, CD44, NES ADORA2A 3784/4885
US-20090198060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, MPL, IL1RN ADORA2A 615/4885
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 ADORA2A 23/4885
US-20100310537-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, CD44, NES ADORA2A 3784/4885

“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.