SCHEMBL738516

SCHEMBL738516

C#Cc1ccc2cncnc2c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.55
TDO2 P48775 1/20 0.39
IMPDH2 P12268 2/20 0.38
KEAP1 Q14145 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
BAZ1A Q9NRL2 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
TYMS P04818 1/20 0.34

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
SCHEMBL737948 0.85 EGFR (0.55) EGFRTDO2PIK3CDPIK3CA
SCHEMBL2010330 0.81 EGFR (0.55) EGFRTDO2IMPDH2PIK3CDPIK3CA
SCHEMBL27557205 0.81 EGFR (0.55) EGFRTDO2IMPDH2
SCHEMBL8641138 0.74 EGFR (0.64) EGFRTDO2IMPDH2PIK3CDPIK3CA
SCHEMBL28137330 0.74 EGFR (0.50) EGFRTDO2PIK3CDPIK3CA
SCHEMBL740305 0.72 ALDH1A1 (0.53)
SCHEMBL20593902 0.72 EGFR (0.44) EGFRTDO2IMPDH2BAZ1A
SCHEMBL21936740 0.71 EGFR (0.60) EGFRTDO2IMPDH2PIK3CDPIK3CA
SCHEMBL559901 0.71 EGFR (0.60) EGFRTDO2IMPDH2PIK3CDPIK3CA
SCHEMBL18618545 0.71 EGFR (0.60) EGFRTDO2IMPDH2PIK3CDPIK3CA

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 EGFR 491/4885TDO2 1487/4885IMPDH2 4143/4885

“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.