SCHEMBL740008

SCHEMBL740008

C#Cc1ccc(Cl)c2nccnc12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.36
KDM4E B2RXH2 1/20 0.32
BRD4 O60885 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
METAP2 P50579 1/20 0.32
METAP1 P53582 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
SCHEMBL18980547 0.79 LRRK2 (0.40) NR4A2
SCHEMBL198192 0.79 KDM4E (0.43) NR4A2KDM4EBRD4LMNAHSP90AA1
SCHEMBL740289 0.77 KDM4E (0.56) NR4A2KDM4EBRD4LMNAHSP90AA1
SCHEMBL738289 0.75 KDM4E (0.32) KDM4E
SCHEMBL7014902 0.69 NR4A2 (0.48) NR4A2KDM4EBRD4LMNAHSP90AA1
SCHEMBL738276 0.68 RPS6KB1 (0.33)
SCHEMBL13313294 0.67 KDM4E (0.59) NR4A2KDM4EBRD4LMNAHSP90AA1
SCHEMBL21800374 0.67 MAPK1 (0.35) NR4A2KDM4EBRD4LMNAHSP90AA1
SCHEMBL5185445 0.67 KDM4E (0.35) NR4A2KDM4EBRD4LMNAHSP90AA1
SCHEMBL26982884 0.67 USP2 (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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847545-B1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME UBE INDUSTRIES (JP) 2013-03-06 EP disclosed
CN-101111499-B Substituted ethynyl gold-nitrogen-containing heterocyclic carbene complex and organic electroluminescent device using the same UBE INDUSTRIES 2012-05-23 CN disclosed
US-8137821-B2 Substituted ethynyl gold-nitrogen containing heterocyclic carbene complex and organic electroluminescent device using the same UBE INDUSTRIES, LTD. (JP) 2012-03-20 US disclosed
US-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same UBE INDUSTRIES, LTD. (JP) 2009-04-09 US disclosed
CN-101111499-A Substituted ethynyl gold-nitrogenated heterocyclic carbene complex and organic electroluminescent device using same UBE INDUSTRIES (JP) 2008-01-23 CN disclosed
EP-1847545-A1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Ube Industries, Ltd. (JP) 2007-10-24 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 (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-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same ACSL3, ATXN2L, ACSL1 NR4A2 520/4885KDM4E 1868/4885BRD4 1529/4885

“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.