SCHEMBL10263189

SCHEMBL10263189

Brc1cc(-c2ccccc2)cc(-c2ccccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.49
CYP2A6 P11509 1/20 0.47
KDM4E B2RXH2 7/20 0.46
LMNA P02545 5/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
RAB9A P51151 6/20 0.46
TP53 P04637 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
PKM P14618 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46

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
SCHEMBL9958239 0.92 KDM4E (0.54) GRM5CYP2A6KDM4ELMNACCR1
SCHEMBL17296043 0.91 KDM4E (0.48) GRM5CYP2A6KDM4ELMNACCR1
SCHEMBL21988548 0.90 KDM4E (0.56) GRM5CYP2A6KDM4ELMNACCR1
SCHEMBL31400233 0.90 KDM4E (0.56) GRM5CYP2A6KDM4ELMNACCR1
SCHEMBL12068185 0.90 KDM4E (0.56) GRM5CYP2A6KDM4ELMNACCR1
SCHEMBL9958124 0.88 KDM4E (0.54) GRM5CYP2A6KDM4ELMNACCR1
SCHEMBL31252166 0.88 KDM4E (0.54) GRM5CYP2A6KDM4ELMNACCR1
SCHEMBL24941515 0.87 GRM5 (0.59) GRM5CYP2A6KDM4ELMNACCR1
SCHEMBL1533732 0.87 GRM5 (0.51) GRM5CYP2A6KDM4ELMNACCR1
SCHEMBL31400278 0.87 KDM4E (0.48) GRM5CYP2A6KDM4ELMNACCR1

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 15 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
US-9682958-B2 Ligands and their preparation MERCK PATENT GMBH (DE) 2017-06-20 US disclosed
US-9682958-B2 Ligands and their preparation MERCK PATENT GMBH (DE) 2017-06-20 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
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-20150175574-A1 Ligands And Their Preparation MERCK PATENT GMBH (DE) 2015-06-25 US disclosed
US-20150175574-A1 Ligands And Their Preparation MERCK PATENT GMBH (DE) 2015-06-25 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
WO-2014015936-A1 LIGANDS AND THEIR PREPARATION MERCK PATENT GMBH (DE) 2014-01-30 WO 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
CN-102574813-A Cyclic azine derivatives, process for producing the same, and organic electroluminescent element containing the same as constituent TOSOH CORP 2012-07-11 CN 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-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 GRM5 2482/4885CYP2A6 3586/4885KDM4E 577/4885
US-20150175574-A1 Ligands And Their Preparation PNMT, DNMT1, DNMT3A GRM5 395/4885CYP2A6 2487/4885KDM4E 2509/4885

“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.