SCHEMBL9958026

SCHEMBL9958026

Clc1cc(Cl)cc(-c2nc(-c3ccccn3)cc(-c3ccccn3)n2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.70
CCR5 P51681 3/20 0.70
CCR8 P51685 3/20 0.70
GRM5 P41594 4/20 0.60
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
TP53 P04637 5/20 0.50
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
LMNA P02545 3/20 0.50
CYP1A2 P05177 2/20 0.50
PKM P14618 2/20 0.50
MAPT P10636 2/20 0.50
METAP1 P53582 2/20 0.50
POLB P06746 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50

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
SCHEMBL15684056 0.86 GRM5 (0.62) CCR1CCR5CCR8GRM5TP53
SCHEMBL17065525 0.83 CCR1 (0.53) CCR1CCR5CCR8GRM5ADORA2A
SCHEMBL517337 0.83 CCR1 (1.00) CCR1CCR5CCR8GRM5ADORA2A
SCHEMBL8429326 0.83 CCR1 (0.64) CCR1CCR5CCR8GRM5ADORA2A
SCHEMBL12925582 0.81 CCR1 (0.58) CCR1CCR5CCR8GRM5TP53
SCHEMBL17065536 0.81 CCR1 (0.50) CCR1CCR5CCR8GRM5ADORA2A
SCHEMBL1617719 0.81 CCR1 (0.96) CCR1CCR5CCR8GRM5ADORA2A
SCHEMBL28190882 0.81 KDM4E (0.58) CCR1CCR5CCR8ADORA2AADORA1
SCHEMBL12925805 0.81 CCR1 (0.62) CCR1CCR5CCR8GRM5TP53
SCHEMBL23079802 0.81 CCR1 (0.62) CCR1CCR5CCR8GRM5TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2818462-B1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMISCENT ELEMENT CONTAINING THESE AS COMPONENT TOSOH CORP (JP) 2017-11-08 EP disclosed
EP-2818462-B1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMISCENT ELEMENT CONTAINING THESE AS COMPONENT TOSOH CORP (JP) 2017-11-08 EP disclosed
US-9624193-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2017-04-18 US disclosed
US-9624193-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2017-04-18 US disclosed
US-9624193-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2017-04-18 US disclosed
CN-102574813-B Cyclic azine derivatives, process for producing the same, and organic electroluminescent element containing the same as constituent TOSOH CORP. (JP) 2016-03-30 CN disclosed
US-20150329544-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT TOSOH CORPORATION (JP) 2015-11-19 US disclosed
US-9120773-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2015-09-01 US disclosed
US-9120773-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2015-09-01 US disclosed
US-9120773-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2015-09-01 US disclosed
EP-2818462-A1 Cyclic azine derivatives, processes for producing these, and organic electrolumiscent element containing these as component TOSOH CORPORATION (JP) 2014-12-31 EP disclosed
EP-2818462-A1 Cyclic azine derivatives, processes for producing these, and organic electrolumiscent element containing these as component TOSOH CORPORATION (JP) 2014-12-31 EP disclosed
EP-2468731-B1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT TOSOH CORP (JP) 2014-11-05 EP disclosed
EP-2468731-B1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT TOSOH CORP (JP) 2014-11-05 EP disclosed
US-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT SAGAMI CHEMICAL RESEARCH INSTITUTE, (JP) 2012-08-23 US disclosed
US-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT SAGAMI CHEMICAL RESEARCH INSTITUTE, (JP) 2012-08-23 US disclosed
US-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT SAGAMI CHEMICAL RESEARCH INSTITUTE, (JP) 2012-08-23 US disclosed
EP-2468731-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT Tosoh Corporation (JP) 2012-06-27 EP disclosed
EP-2468731-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT Tosoh Corporation (JP) 2012-06-27 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 (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-20150329544-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 CCR1 2913/4885CCR5 4199/4885CCR8 3995/4885
US-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 CCR1 2913/4885CCR5 4199/4885CCR8 3995/4885

“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.