SCHEMBL738276

SCHEMBL738276

C#Cc1ccc(Cl)c2cncnc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 2/20 0.33
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
CSNK2A2 P19784 1/20 0.30
CSNK2A1 P68400 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
SCHEMBL738572 0.79 RPS6KB1 (0.31) RPS6KB1EGFR
SCHEMBL740289 0.74 KDM4E (0.56)
SCHEMBL3241243 0.73 KDM4E (0.55) RPS6KB1CSNK2A2CSNK2A1
SCHEMBL740008 0.68 NR4A2 (0.36)
SCHEMBL736910 0.68 EGFR (0.42) EGFRERBB2CSNK2A2CSNK2A1
SCHEMBL30633989 0.68 ATM (0.38) RPS6KB1CSNK2A2CSNK2A1
SCHEMBL3251979 0.67 ALDH1A1 (0.36) EGFRERBB2
SCHEMBL27663015 0.67 ALDH1A1 (0.60)
SCHEMBL27798083 0.64 EGFR (0.47) EGFR
SCHEMBL736412 0.64 EGFR (0.42) EGFRERBB2CSNK2A2CSNK2A1

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 RPS6KB1 3268/4885EGFR 491/4885ERBB2 884/4885

“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.