SCHEMBL2894352

SCHEMBL2894352

CCC(N)c1ccncn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
P2RX7 Q99572 1/20 0.35
CYP2D6 P10635 1/20 0.34
SLC6A4 P31645 1/20 0.33
CYP19A1 P11511 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN1A P35498 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
Ammonia Solution, Strong SCHEMBL3717839 0.98 HSP90AA1 (0.39) HSP90AA1P2RX7CYP2D6SLC6A4CYP19A1
SCHEMBL11813334 0.82 CYP2D6 (0.41) HSP90AA1P2RX7CYP2D6CYP19A1ALDH1A1
SCHEMBL5669611 0.80 P2RX7 (0.43) HSP90AA1P2RX7CYP19A1
SCHEMBL3717840 0.80 HSP90AA1 (0.40) HSP90AA1P2RX7CYP19A1
SCHEMBL10042014 0.79 HSP90AA1 (0.38) HSP90AA1P2RX7CYP2D6CYP19A1ALDH1A1
SCHEMBL24554448 0.78 HSP90AA1 (0.37) HSP90AA1P2RX7CYP2D6CYP19A1ALDH1A1
SCHEMBL1890998 0.78 HSP90AA1 (0.37) HSP90AA1P2RX7CYP2D6CYP19A1ALDH1A1
SCHEMBL12059428 0.78 HSP90AA1 (0.37) HSP90AA1P2RX7CYP2D6CYP19A1ALDH1A1
SCHEMBL13104790 0.78 HSP90AA1 (0.37) HSP90AA1P2RX7CYP2D6CYP19A1ALDH1A1
SCHEMBL26695870 0.77 HSP90AA1 (0.38) HSP90AA1P2RX7CYP19A1

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-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
WO-2010131147-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131146-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131146-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131147-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
EP-2203429-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS Nissan Chemical Industries, Ltd. (JP) 2010-07-07 EP disclosed
WO-2009057827-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-07 WO disclosed
WO-2009057827-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-07 WO disclosed
EP-1383747-A1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LIMITED (GB) 2004-01-28 EP disclosed
WO-2002088095-A1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LIMITED (GB) 2002-11-07 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-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 HSP90AA1 3499/4885P2RX7 2/4885CYP2D6 760/4885

“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.